Organic molecules for use in organic optoelectronic devices

An organic molecule comprising:

• a first chemical moiety comprising a structure of formula I,
• and
• two second chemical moieties, independently from another comprising a structure of formula II,
• wherein the first chemical moiety is linked to each of the two second chemical moieties via a single bond;
• wherein
• LT is N or C—R1;
• LV is N or C—R1;
• LW is N or C—W;
• X is the binding site of a single bond linking the first chemical moiety to one of the two second chemical moieties or is R2;
• Y is the binding site of a single bond linking the first chemical moiety to one of the two second chemical moieties or is R2;
• W is the binding site of a single bond linking the first chemical moiety to one of the two second chemical moieties or is R2;
• RT is selected from the group consisting of CN and RI;
• RV is selected from the group consisting of CN and RI;
• RW is the binding site of a single bond linking the first chemical moiety to one of the two second chemical moieties or is selected from the group consisting of CN and RI;
• RX is the binding site of a single bond linking the first chemical moiety to one of the two second chemical moieties or is RI;
• RY is the binding site of a single bond linking the first chemical moiety to one of the two second chemical moieties or is RI;
• # represents the binding site of a single bond linking the second chemical moieties to the first chemical moiety;
• Z is at each occurrence independently from another selected from the group consisting of a direct bond, CR3R4, C═CR3R4, C═O, C═NR3, NR3, O, SiR3R4, S, S(O) and S(O)2;
• R1 is at each occurrence independently from another selected from the group consisting of:
• hydrogen, deuterium,
• C1-C5-alkyl,
• wherein one or more hydrogen atoms are optionally substituted by deuterium;
• C2-C8-alkenyl,
• wherein one or more hydrogen atoms are optionally substituted by deuterium;
• C2-C8-alkynyl,
• wherein one or more hydrogen atoms are optionally substituted by deuterium;
• and
• C6-C18-aryl,
• which is optionally substituted with one or more substituents R6;
• R2 is at each occurrence independently from another selected from the group consisting of:
• hydrogen, deuterium,
• C1-C5-alkyl,
• wherein one or more hydrogen atoms are optionally substituted by deuterium;
• C2-C8-alkenyl,
• wherein one or more hydrogen atoms are optionally substituted by deuterium;
• C2-C8-alkynyl,
• wherein one or more hydrogen atoms are optionally substituted by deuterium;
• and
• C6-C18-aryl,
• which is optionally substituted with one or more substituents R6;
• RI is at each occurrence independently from another selected from the group consisting of:
• hydrogen, deuterium,
• C1-C5-alkyl,
• wherein one or more hydrogen atoms are optionally substituted by deuterium;
• C2-C8-alkenyl,
• wherein one or more hydrogen atoms are optionally substituted by deuterium;
• C2-C8-alkynyl,
• wherein one or more hydrogen atoms are optionally substituted by deuterium;
• and
• C6-C18-aryl,
• which is optionally substituted with one or more substituents R6;
• Ra, R3 and R4 is at each occurrence independently from another selected from the group consisting of:
• hydrogen, deuterium, N(R5)2, OR5, Si(R5)3, B(OR5)2, oso2R5, CF3, CN, F, Br, I,
• C1-C40-alkyl,
• which is optionally substituted with one or more substituents R5 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R5C═CR5, C≡C, Si(R5)2, Ge(R5)2, Sn(R5)2, C═O, C═S, C═Se, C═NR5, P(═O)(R5), SO, SO2, NR5, O, S or CONR5;
• C1-C40-alkoxy,
• which is optionally substituted with one or more substituents R5 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R5C═CR5, C≡C, Si(R5)2, Ge(R5)2, Sn(R5)2, C═O, C═S, C═Se, C═NR5, P(═O)(R5), SO, SO2, NR5, O, S or CONR5;
• C1-C40-thioalkoxy,
• which is optionally substituted with one or more substituents R5 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R5C═CR5, C≡C, Si(R5)2, Ge(R5)2, Sn(R5)2, C═O, C═S, C═Se, C═NR5, P(═O)(R5), SO, SO2, NR5, O, S or CONR5;
• C2-C40-alkenyl,
• which is optionally substituted with one or more substituents R5 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R5C═CR5, C≡C, Si(R5)2, Ge(R5)2, Sn(R5)2, C═O, C═S, C═Se, C═NR5, P(═O)(R5), SO, SO2, NR5, O, S or CONR5;
• C2-C40-alkynyl,
• which is optionally substituted with one or more substituents R5 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R5C═CR5, C≡C, Si(R5)2, Ge(R5)2, Sn(R5)2, C═O, C═S, C═Se, C═NR5, P(═O)(R5), SO, SO2, NR5, O, S or CONR5;
• C6-C60-aryl,
• which is optionally substituted with one or more substituents R5;
• and
• C3-C57-heteroaryl,
• which is optionally substituted with one or more substituents R5;
• R5 is at each occurrence independently from another selected from the group consisting of hydrogen, deuterium, N(R6)2, OR6, Si(R6)3, B(OR6)2, OSO2R6, CF3, CN, F, Br, I,
• C1-C40-alkyl,
• which is optionally substituted with one or more substituents R6 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R6C═CR6, C≡C, Si(R6)2, Ge(R6)2, Sn(R6)2, C═O, C═S, C═Se, C═NR6, P(═O)(R6), SO, SO2, NR6, O, S or CONR6;
• C1-C40-alkoxy,
• which is optionally substituted with one or more substituents R6 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R6C═CR6, C≡C, Si(R6)2, Ge(R6)2, Sn(R6)2, C═O, C═S, C═Se, C═NR6, P(═O)(R6), SO, SO2, NR6, O, S or CONR6;
• C1-C40-thioalkoxy,
• which is optionally substituted with one or more substituents R6 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R6C═CR6, C≡C, Si(R6)2, Ge(R6)2, Sn(R6)2, C═O, C═S, C═Se, C═NR6, P(═O)(R6), SO, SO2, NR6, O, S or CONR6;
• C2-C40-alkenyl,
• which is optionally substituted with one or more substituents R6 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R6C═CR6, C≡C, Si(R6)2, Ge(R6)2, Sn(R6)2, C═O, C═S, C═Se, C═NR6, P(═O)(R6), SO, SO2, NR6, O, S or CONR6;
• C2-C40-alkynyl,
• which is optionally substituted with one or more substituents R6 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R6C═CR6, C≡C, Si(R6)2, Ge(R6)2, Sn(R6)2, C═O, C═S, C═Se, C═NR6, P(═O)(R6), SO, SO2, NR6, O, S or CONR6;
• C6-C60-aryl,
• which is optionally substituted with one or more substituents R6;
• and
• C3-C57-heteroaryl,
• which is optionally substituted with one or more substituents R6;
• R6 is at each occurrence independently from another selected from the group consisting of:
• hydrogen, deuterium, OPh, CF3, CN, F,
• C1-C5-alkyl,
• wherein one or more hydrogen atoms are optionally, independently from each other substituted by deuterium, CN, CF3, or F;
• C1-C5-alkoxy,
• wherein one or more hydrogen atoms are optionally, independently from each other substituted by deuterium, CN, CF3, or F;
• C1-C5-thioalkoxy,
• wherein one or more hydrogen atoms are optionally, independently from each other substituted by deuterium, CN, CF3, or F;
• C2-C5-alkenyl,
• wherein one or more hydrogen atoms are optionally, independently from each other substituted by deuterium, CN, CF3, or F;
• C2-C5-alkynyl,
• wherein one or more hydrogen atoms are optionally, independently from each other substituted by deuterium, CN, CF3, or F;
• C6-C18-aryl,
• which is optionally substituted with one or more C1-C5-alkyl substituents;
• C3-C17-heteroaryl,
• which is optionally substituted with one or more C1-C5-alkyl substituents;
• N(C6-C18-aryl)2;
• N(C3-C17-heteroaryl)2,
• and N(C3-C17-heteroaryl)(C6-C18-aryl);
• wherein the substituents Ra, R3, R4 or R5 independently from each other optionally form a mono- or polycyclic, aliphatic, aromatic and/or benzo-fused ring system with one or more substituents Ra, R3, R4 or R5;
• wherein
• exactly one ring atom selected from the group consisting of LT, LV and LW is N,
• exactly one substituent selected from the group consisting of RT, RV and RW is CN,
• exactly one substituent selected from the group consisting of LW, Y and X represents the binding site of a single bond linking the first chemical moiety and one of the two second chemical moieties, and
• exactly one substituent selected from the group consisting of RW, RY and RX represents the binding site of a single bond linking the first chemical moiety and one of the two second chemical moieties,
• wherein the first chemical moiety comprises a structure of formula Ia:
• wherein
• YD is the binding site of a single bond linking the first chemical moiety to one of the two second chemical moieties;
• RD is the binding site of a single bond linking the first chemical moiety to one of the two second chemical moieties;
• LZ is N or C—R2;
• RZ is CN or RI;
• wherein exactly one substituent selected from the group consisting of RT, RV and RZ is CN and exactly one ring atom selected from the group consisting of LT, LV and LZ is N.

An organic molecule comprising:

• a first chemical moiety comprising a structure of formula I,
• and
• two second chemical moieties, independently from another comprising a structure of formula II,
• wherein the first chemical moiety is linked to each of the two second chemical moieties via a single bond;
• wherein
• LT is N or C—R1;
• LV is N or C—R1;
• LW is N or C—W;
• X is the binding site of a single bond linking the first chemical moiety to one of the two second chemical moieties or is R2;
• Y is the binding site of a single bond linking the first chemical moiety to one of the two second chemical moieties or is R2;
• W is the binding site of a single bond linking the first chemical moiety to one of the two second chemical moieties or is R2;
• RT is selected from the group consisting of CN and RI;
• RV is selected from the group consisting of CN and RI;
• RW is the binding site of a single bond linking the first chemical moiety to one of the two second chemical moieties or is selected from the group consisting of CN and RI;
• RX is the binding site of a single bond linking the first chemical moiety to one of the two second chemical moieties or is RI;
• RY is the binding site of a single bond linking the first chemical moiety to one of the two second chemical moieties or is RI;
• # represents the binding site of a single bond linking the second chemical moieties to the first chemical moiety;
• Z is at each occurrence independently from another selected from the group consisting of a direct bond, CR3R4, C═CR3R4, C═O, C═NR3, NR3, O, SiR3R4, S, S(O) and S(O)2;
• R1 is at each occurrence independently from another selected from the group consisting of:
• hydrogen, deuterium,
• C1-C5-alkyl,
• wherein one or more hydrogen atoms are optionally substituted by deuterium;
• C2-C8-alkenyl,
• wherein one or more hydrogen atoms are optionally substituted by deuterium;
• C2-C8-alkynyl,
• wherein one or more hydrogen atoms are optionally substituted by deuterium;
• and
• C6-C18-aryl,
• which is optionally substituted with one or more substituents R6;
• R2 is at each occurrence independently from another selected from the group consisting of:
• hydrogen, deuterium,
• C1-C5-alkyl,
• wherein one or more hydrogen atoms are optionally substituted by deuterium;
• C2-C8-alkenyl,
• wherein one or more hydrogen atoms are optionally substituted by deuterium;
• C2-C8-alkynyl,
• wherein one or more hydrogen atoms are optionally substituted by deuterium;
• and
• C6-C18-aryl,
• which is optionally substituted with one or more substituents R6;
• RI is at each occurrence independently from another selected from the group consisting of:
• hydrogen, deuterium,
• C1-C5-alkyl,
• wherein one or more hydrogen atoms are optionally substituted by deuterium;
• C2-C8-alkenyl,
• wherein one or more hydrogen atoms are optionally substituted by deuterium;
• C2-C8-alkynyl,
• wherein one or more hydrogen atoms are optionally substituted by deuterium;
• and
• C6-C18-aryl,
• which is optionally substituted with one or more substituents R6;
• Ra, R3 and R4 is at each occurrence independently from another selected from the group consisting of:
• hydrogen, deuterium, N(R5)2, OR5, Si(R5)3, B(OR5)2, OSO2R5, CF3, CN, F, Br, I,
• C1-C40-alkyl,
• which is optionally substituted with one or more substituents R5 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R5C═CR5, C≡C, Si(R5)2, Ge(R5)2, Sn(R5)2, C═O, C═S, C═Se, C═NR5, P(═O)(R5), SO, SO2, NR5, O, S or CONR5;
• C1-C40-alkoxy,
• which is optionally substituted with one or more substituents R5 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R5C═CR5, C≡C, Si(R5)2, Ge(R5)2, Sn(R5)2, C═O, C═S, C═Se, C═NR5, P(═O)(R5), SO, SO2, NR5, O, S or CONR5;
• C1-C40-thioalkoxy,
• which is optionally substituted with one or more substituents R5 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R5C═CR5, C≡C, Si(R5)2, Ge(R5)2, Sn(R5)2, C═O, C═S, C═Se, C═NR5, P(═O)(R5), SO, SO2, NR5, O, S or CONR5;
• C2-C40-alkenyl,
• which is optionally substituted with one or more substituents R5 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R5C═CR5, C≡C, Si(R5)2, Ge(R5)2, Sn(R5)2, C═O, C═S, C═Se, C═NR5, P(═O)(R5), SO, SO2, NR5, O, S or CONR5;
• C2-C40-alkynyl,
• which is optionally substituted with one or more substituents R5 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R5C═CR5, C≡C, Si(R5)2, Ge(R5)2, Sn(R5)2, C═O, C═S, C═Se, C═NR5, P(═O)(R5), SO, SO2, NR5, O, S or CONR5;
• C6-C60-aryl,
• which is optionally substituted with one or more substituents R5;
• and
• C3-C57-heteroaryl,
• which is optionally substituted with one or more substituents R5;
• R5 is at each occurrence independently from another selected from the group consisting of hydrogen, deuterium, N(R6)2, OR6, Si(R6)3, B(OR6)2, OSO2R6, CF3, CN, F, Br, I,
• C1-C40-alkyl,
• which is optionally substituted with one or more substituents R6 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R6C═CR6, C≡C, Si(R6)2, Ge(R6)2, Sn(R6)2, C═O, C═S, C═Se, C═NR6, P(═O)(R6), SO, SO2, NR6, O, S or CONR6;
• C1-C40-alkoxy,
• which is optionally substituted with one or more substituents R6 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R6C═CR6, C≡C, Si(R6)2, Ge(R6)2, Sn(R6)2, C═O, C═S, C═Se, C═NR6, P(═O)(R6), SO, SO2, NR6, O, S or CONR6;
• C1-C40-thioalkoxy,
• which is optionally substituted with one or more substituents R6 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R6C═CR6, C≡C, Si(R6)2, Ge(R6)2, Sn(R6)2, C═O, C═S, C═Se, C═NR6, P(═O)(R6), SO, SO2, NR6, O, S or CONR6;
• C2-C40-alkenyl,
• which is optionally substituted with one or more substituents R6 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R6C═CR6, C≡C, Si(R6)2, Ge(R6)2, Sn(R6)2, C═O, C═S, C═Se, C═NR6, P(═O)(R6), SO, SO2, NR6, O, S or CONR6;
• C2-C40-alkynyl,
• which is optionally substituted with one or more substituents R6 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R6C═CR6, C≡C, Si(R6)2, Ge(R6)2, Sn(R6)2, C═O, C═S, C═Se, C═NR6, P(═O)(R6), SO, SO2, NR6, O, S or CONR6;
• C6-C60-aryl,
• which is optionally substituted with one or more substituents R6;
• and
• C3-C57-heteroaryl,
• which is optionally substituted with one or more substituents R6;
• R6 is at each occurrence independently from another selected from the group consisting of:
• hydrogen, deuterium, OPh, CF3, CN, F,
• C1-C5-alkyl,
• wherein one or more hydrogen atoms are optionally, independently from each other substituted by deuterium, CN, CF3, or F;
• C1-C5-alkoxy,
• wherein one or more hydrogen atoms are optionally, independently from each other substituted by deuterium, CN, CF3, or F;
• C1-C5-thioalkoxy,
• wherein one or more hydrogen atoms are optionally, independently from each other substituted by deuterium, CN, CF3, or F;
• C2-C5-alkenyl,
• wherein one or more hydrogen atoms are optionally, independently from each other substituted by deuterium, CN, CF3, or F;
• C2-C5-alkynyl,
• wherein one or more hydrogen atoms are optionally, independently from each other substituted by deuterium, CN, CF3, or F;
• C6-C18-aryl,
• which is optionally substituted with one or more C1-C5-alkyl substituents;
• C3-C17-heteroaryl,
• which is optionally substituted with one or more C1-C5-alkyl substituents;
• N(C6-C18-aryl)2;
• N(C3-C17-heteroaryl)2,
• and N(C3-C17-heteroaryl)(C6-C18-aryl);
• wherein the substituents Ra, R3, R4 or R5 independently from each other optionally form a mono- or polycyclic, aliphatic, aromatic and/or benzo-fused ring system with one or more substituents Ra, R3, R4 or R5;
• wherein
• exactly one ring atom selected from the group consisting of LT, LV and LW is N,
• exactly one substituent selected from the group consisting of RT, RV and RW is CN,
• exactly one substituent selected from the group consisting of LW, Y and X represents the binding site of a single bond linking the first chemical moiety and one of the two second chemical moieties, and
• exactly one substituent selected from the group consisting of RW, RY and RX represents the binding site of a single bond linking the first chemical moiety and one of the two second chemical moieties,
• wherein the two second chemical moieties, each at each occurrence independently from another comprise a structure of formula IIa:
• wherein # and Ra have the aforestated meanings.

An organic molecule comprising:

• a first chemical moiety comprising a structure of formula I,
• and
• two second chemical moieties, independently from another comprising a structure of formula II,
• wherein the first chemical moiety is linked to each of the two second chemical moieties via a single bond;
• wherein
• LT is N or C—R1;
• LV is N or C—R1;
• LW is N or C—W;
• X is the binding site of a single bond linking the first chemical moiety to one of the two second chemical moieties or is R2;
• Y is the binding site of a single bond linking the first chemical moiety to one of the two second chemical moieties or is R2;
• W is the binding site of a single bond linking the first chemical moiety to one of the two second chemical moieties or is R2;
• RT is selected from the group consisting of CN and RI;
• RV is selected from the group consisting of CN and RI;
• RW is the binding site of a single bond linking the first chemical moiety to one of the two second chemical moieties or is selected from the group consisting of CN and RI;
• RX is the binding site of a single bond linking the first chemical moiety to one of the two second chemical moieties or is RI;
• RY is the binding site of a single bond linking the first chemical moiety to one of the two second chemical moieties or is RI;
• # represents the binding site of a single bond linking the second chemical moieties to the first chemical moiety;
• Z is at each occurrence independently from another selected from the group consisting of a direct bond, CR3R4, C═CR3R4, C═O, C═NR3, NR3, O, SiR3R4, S, S(O) and S(O)2;
• R1 is at each occurrence independently from another selected from the group consisting of:
• hydrogen, deuterium,
• C1-C5-alkyl,
• wherein one or more hydrogen atoms are optionally substituted by deuterium;
• C2-C8-alkenyl,
• wherein one or more hydrogen atoms are optionally substituted by deuterium;
• C2-C8-alkynyl,
• wherein one or more hydrogen atoms are optionally substituted by deuterium;
• and
• C6-C18-aryl,
• which is optionally substituted with one or more substituents R6;
• R2 is at each occurrence independently from another selected from the group consisting of:
• hydrogen, deuterium,
• C1-C5-alkyl,
• wherein one or more hydrogen atoms are optionally substituted by deuterium;
• C2-C8-alkenyl,
• wherein one or more hydrogen atoms are optionally substituted by deuterium;
• C2-C8-alkynyl,
• wherein one or more hydrogen atoms are optionally substituted by deuterium;
• and
• C6-C18-aryl,
• which is optionally substituted with one or more substituents R6;
• RI is at each occurrence independently from another selected from the group consisting of:
• hydrogen, deuterium,
• C1-C5-alkyl,
• wherein one or more hydrogen atoms are optionally substituted by deuterium;
• C2-C8-alkenyl,
• wherein one or more hydrogen atoms are optionally substituted by deuterium;
• C2-C8-alkynyl,
• wherein one or more hydrogen atoms are optionally substituted by deuterium;
• and
• C6-C18-aryl,
• which is optionally substituted with one or more substituents R6;
• Ra, R3 and R4 is at each occurrence independently from another selected from the group consisting of:
• hydrogen, deuterium, N(R5)2, OR5, Si(R5)3, B(OR5)2, OSO2R5, CF3, CN, F, Br, I,
• C1-C40-alkyl,
• which is optionally substituted with one or more substituents R5 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R5C═CR5, C≡C, Si(R5)2, Ge(R5)2, Sn(R5)2, C═O, C═S, C═Se, C═NR5, P(═O)(R5), SO, SO2, NR5, O, S or CONR5;
• C1-C40-alkoxy,
• which is optionally substituted with one or more substituents R5 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R5C═CR5, C≡C, Si(R5)2, Ge(R5)2, Sn(R5)2, C═O, C═S, C═Se, C═NR5, P(═O)(R5), SO, SO2, NR5, O, S or CONR5;
• C1-C40-thioalkoxy,
• which is optionally substituted with one or more substituents R5 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R5C═CR5, C≡C, Si(R5)2, Ge(R5)2, Sn(R5)2, C═O, C═S, C═Se, C═NR5, P(═O)(R5), SO, SO2, NR5, O, S or CONR5;
• C2-C40-alkenyl,
• which is optionally substituted with one or more substituents R5 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R5C═CR5, C≡C, Si(R5)2, Ge(R5)2, Sn(R5)2, C═O, C═S, C═Se, C═NR5, P(═O)(R5), SO, SO2, NR5, O, S or CONR5;
• C2-C40-alkynyl,
• which is optionally substituted with one or more substituents R5 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R5C═CR5, C≡C, Si(R5)2, Ge(R5)2, Sn(R5)2, C═O, C═S, C═Se, C═NR5, P(═O)(R5), SO, SO2, NR5, O, S or CONR5;
• C6-C60-aryl,
• which is optionally substituted with one or more substituents R5;
• and
• C3-C57-heteroaryl,
• which is optionally substituted with one or more substituents R5;
• R5 is at each occurrence independently from another selected from the group consisting of hydrogen, deuterium, N(R6)2, OR6, Si(R6)3, B(OR6)2, OSO2R6, CF3, CN, F, Br, I,
• C1-C40-alkyl,
• which is optionally substituted with one or more substituents R6 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R6C═CR6, C≡C, Si(R6)2, Ge(R6)2, Sn(R6)2, C═O, C═S, C═Se, C═NR6, P(═O)(R6), SO, SO2, NR6, O, S or CONR6;
• C1-C40-alkoxy,
• which is optionally substituted with one or more substituents R6 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R6C═CR6, C≡C, Si(R6)2, Ge(R6)2, Sn(R6)2, C═O, C═S, C═Se, C═NR6, P(═O)(R6), SO, SO2, NR6, O, S or CONR6;
• C1-C40-thioalkoxy,
• which is optionally substituted with one or more substituents R6 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R6C═CR6, C≡C, Si(R6)2, Ge(R6)2, Sn(R6)2, C═O, C═S, C═Se, C═NR6, P(═O)(R6), SO, SO2, NR6, O, S or CONR6;
• C2-C40-alkenyl,
• which is optionally substituted with one or more substituents R6 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R6C═CR6, C≡C, Si(R6)2, Ge(R6)2, Sn(R6)2, C═O, C═S, C═Se, C═NR6, P(═O)(R6), SO, SO2, NR6, O, S or CONR6;
• C2-C40-alkynyl,
• which is optionally substituted with one or more substituents R6 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R6C═CR6, C≡C, Si(R6)2, Ge(R6)2, Sn(R6)2, C═O, C═S, C═Se, C═NR6, P(═O)(R6), SO, SO2, NR6, O, S or CONR6;
• C6-C60-aryl,
• which is optionally substituted with one or more substituents R6;
• and
• C3-C57-heteroaryl,
• which is optionally substituted with one or more substituents R6;
• R6 is at each occurrence independently from another selected from the group consisting of:
• hydrogen, deuterium, OPh, CF3, CN, F,
• C1-C5-alkyl,
• wherein one or more hydrogen atoms are optionally, independently from each other substituted by deuterium, CN, CF3, or F;
• C1-C5-alkoxy,
• wherein one or more hydrogen atoms are optionally, independently from each other substituted by deuterium, CN, CF3, or F;
• C1-C5-thioalkoxy,
• wherein one or more hydrogen atoms are optionally, independently from each other substituted by deuterium, CN, CF3, or F;
• C2-C5-alkenyl,
• wherein one or more hydrogen atoms are optionally, independently from each other substituted by deuterium, CN, CF3, or F;
• C2-C5-alkynyl,
• wherein one or more hydrogen atoms are optionally, independently from each other substituted by deuterium, CN, CF3, or F;
• C6-C18-aryl,
• which is optionally substituted with one or more C1-C5-alkyl substituents;
• C3-C17-heteroaryl,
• which is optionally substituted with one or more C1-C5-alkyl substituents;
• N(C6-C18-aryl)2;
• N(C3-C17-heteroaryl)2,
• and N(C3-C17-heteroaryl)(C6-C18-aryl);
• wherein the substituents Ra, R3, R4 or R5 independently from each other optionally form a mono- or polycyclic, aliphatic, aromatic and/or benzo-fused ring system with one or more substituents Ra, R3, R4 or R5;
• wherein
• exactly one ring atom selected from the group consisting of LT, LV and LW is N,
• exactly one substituent selected from the group consisting of RT, RV and RW is CN,
• exactly one substituent selected from the group consisting of LW, Y and X represents the binding site of a single bond linking the first chemical moiety and one of the two second chemical moieties, and
• exactly one substituent selected from the group consisting of RW, RY and RX represents the binding site of a single bond linking the first chemical moiety and one of the two second chemical moieties,
• wherein the two second chemical moieties, each at each occurrence independently from another comprise a structure of formula IIb:
• wherein
• Rb is at each occurrence independently from another selected from the group consisting of:
• deuterium, N(R5)2, OR5, Si(R5)3, B(OR5)2, OSO2R5, CF3, CN, F, Br, I,
• C1-C40-alkyl,
• which is optionally substituted with one or more substituents R5 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R5C═CR5, C≡C, Si(R5)2, Ge(R5)2, Sn(R5)2, C═O, C═S, C═Se, C═NR5, P(═O)(R5), SO, SO2, NR5, O, S or CONR5;
• C1-C40-alkoxy,
• which is optionally substituted with one or more substituents R5 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R5C═CR5, C≡C, Si(R5)2, Ge(R5)2, Sn(R5)2, C═O, C═S, C═Se, C═NR5, P(═O)(R5), SO, SO2, NR5, O, S or CONR5;
• C1-C40-thioalkoxy,
• which is optionally substituted with one or more substituents R5 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R5C═CR5, C≡C, Si(R5)2, Ge(R5)2, Sn(R5)2, C═O, C═S, C═Se, C═NR5, P(═O)(R5), SO, SO2, NR5, O, S or CONR5;
• C2-C40-alkenyl,
• which is optionally substituted with one or more substituents R5 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R5C═CR5, C≡C, Si(R5)2, Ge(R5)2, Sn(R5)2, C═O, C═S, C═Se, C═NR5, P(═O)(R5), SO, SO2, NR5, O, S or CONR5;
• C2-C40-alkynyl,
• which is optionally substituted with one or more substituents R5 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R5C═CR5, C≡C, Si(R5)2, Ge(R5)2, Sn(R5)2, C═O, C═S, C═Se, C═NR5, P(═O)(R5), SO, SO2, NR5, O, S or CONR5;
• C6-C60-aryl,
• which is optionally substituted with one or more substituents R5;
• and
• C3-C57-heteroaryl,
• which is optionally substituted with one or more substituents R5.

An organic molecule comprising:

• a first chemical moiety comprising a structure of formula I,
• and
• two second chemical moieties, independently from another comprising a structure of formula II,
• wherein the first chemical moiety is linked to each of the two second chemical moieties via a single bond;
• wherein
• LT is N or C—R1;
• LV is N or C—R1;
• LW is N or C—W;
• X is the binding site of a single bond linking the first chemical moiety to one of the two second chemical moieties or is R2;
• Y is the binding site of a single bond linking the first chemical moiety to one of the two second chemical moieties or is R2;
• W is the binding site of a single bond linking the first chemical moiety to one of the two second chemical moieties or is R2;
• RT is selected from the group consisting of CN and RI;
• RV is selected from the group consisting of CN and RI;
• RW is the binding site of a single bond linking the first chemical moiety to one of the two second chemical moieties or is selected from the group consisting of CN and RI;
• RX is the binding site of a single bond linking the first chemical moiety to one of the two second chemical moieties or is RI;
• RY is the binding site of a single bond linking the first chemical moiety to one of the two second chemical moieties or is RI;
• # represents the binding site of a single bond linking the second chemical moieties to the first chemical moiety;
• Z is at each occurrence independently from another selected from the group consisting of a direct bond, CR3R4, C═CR3R4, C═O, C═NR3, NR3, O, SiR3R4, S, S(O) and S(O)2;
• R1 is at each occurrence independently from another selected from the group consisting of:
• hydrogen, deuterium,
• C1-C5-alkyl,
• wherein one or more hydrogen atoms are optionally substituted by deuterium;
• C2-C8-alkenyl,
• wherein one or more hydrogen atoms are optionally substituted by deuterium;
• C2-C8-alkynyl,
• wherein one or more hydrogen atoms are optionally substituted by deuterium;
• and
• C6-C18-aryl,
• which is optionally substituted with one or more substituents R6;
• R2 is at each occurrence independently from another selected from the group consisting of:
• hydrogen, deuterium,
• C1-C5-alkyl,
• wherein one or more hydrogen atoms are optionally substituted by deuterium;
• C2-C8-alkenyl,
• wherein one or more hydrogen atoms are optionally substituted by deuterium;
• C2-C8-alkynyl,
• wherein one or more hydrogen atoms are optionally substituted by deuterium;
• and
• C6-C18-aryl,
• which is optionally substituted with one or more substituents R6;
• RI is at each occurrence independently from another selected from the group consisting of:
• hydrogen, deuterium,
• C1-C5-alkyl,
• wherein one or more hydrogen atoms are optionally substituted by deuterium;
• C2-C8-alkenyl,
• wherein one or more hydrogen atoms are optionally substituted by deuterium;
• C2-C8-alkynyl,
• wherein one or more hydrogen atoms are optionally substituted by deuterium;
• and
• C6-C18-aryl,
• which is optionally substituted with one or more substituents R6;
• Ra, R3 and R4 is at each occurrence independently from another selected from the group consisting of:
• hydrogen, deuterium, N(R5)2, OR5, Si(R5)3, B(OR5)2, OSO2R5, CF3, CN, F, Br, I,
• C1-C40-alkyl,
• which is optionally substituted with one or more substituents R5 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R5C═CR5, C≡C, Si(R5)2, Ge(R5)2, Sn(R5)2, C═O, C═S, C═Se, C═NR5, P(═O)(R5), SO, SO2, NR5, O, S or CONR5;
• C1-C40-alkoxy,
• which is optionally substituted with one or more substituents R5 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R5C═CR5, C≡C, Si(R5)2, Ge(R5)2, Sn(R5)2, C═O, C═S, C═Se, C═NR5, P(═O)(R5), SO, SO2, NR5, O, S or CONR5;
• C1-C40-thioalkoxy,
• which is optionally substituted with one or more substituents R5 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R5C═CR5, C≡C, Si(R5)2, Ge(R5)2, Sn(R5)2, C═O, C═S, C═Se, C═NR5, P(═O)(R5), SO, SO2, NR5, O, S or CONR5;
• C2-C40-alkenyl,
• which is optionally substituted with one or more substituents R5 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R5C═CR5, C≡C, Si(R5)2, Ge(R5)2, Sn(R5)2, C═O, C═S, C═Se, C═NR5, P(═O)(R5), SO, SO2, NR5, O, S or CONR5;
• C2-C40-alkynyl,
• which is optionally substituted with one or more substituents R5 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R5C═CR5, C≡C, Si(R5)2, Ge(R5)2, Sn(R5)2, C═O, C═S, C═Se, C═NR5, P(═O)(R5), SO, SO2, NR5, O, S or CONR5;
• C6-C60-aryl,
• which is optionally substituted with one or more substituents R5;
• and
• C3-C57-heteroaryl,
• which is optionally substituted with one or more substituents R5;
• R5 is at each occurrence independently from another selected from the group consisting of hydrogen, deuterium, N(R6)2, OR6, Si(R6)3, B(OR6)2, OSO2R6, CF3, CN, F, Br, I,
• C1-C40-alkyl,
• which is optionally substituted with one or more substituents R6 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R6C═CR6, C≡C, Si(R6)2, Ge(R6)2, Sn(R6)2, C═O, C═S, C═Se, C═NR6, P(═O)(R6), SO, SO2, NR6, O, S or CONR6;
• C1-C40-alkoxy,
• which is optionally substituted with one or more substituents R6 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R6C═CR6, C≡C, Si(R6)2, Ge(R6)2, Sn(R6)2, C═O, C═S, C═Se, C═NR6, P(═O)(R6), SO, SO2, NR6, O, S or CONR6;
• C1-C40-thioalkoxy,
• which is optionally substituted with one or more substituents R6 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R6C═CR6, C≡C, Si(R6)2, Ge(R6)2, Sn(R6)2, C═O, C═S, C═Se, C═NR6, P(═O)(R6), SO, SO2, NR6, O, S or CONR6;
• C2-C40-alkenyl,
• which is optionally substituted with one or more substituents R6 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R6C═CR6, C≡C, Si(R6)2, Ge(R6)2, Sn(R6)2, C═O, C═S, C═Se, C═NR6, P(═O)(R6), SO, SO2, NR6, O, S or CONR6;
• C2-C40-alkynyl,
• which is optionally substituted with one or more substituents R6 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R6C═CR6, C≡C, Si(R6)2, Ge(R6)2, Sn(R6)2, C═O, C═S, C═Se, C═NR6, P(═O)(R6), SO, SO2, NR6, O, S or CONR6;
• C6-C60-aryl,
• which is optionally substituted with one or more substituents R6;
• and
• C3-C57-heteroaryl,
• which is optionally substituted with one or more substituents R6;
• R6 is at each occurrence independently from another selected from the group consisting of:
• hydrogen, deuterium, OPh, CF3, CN, F,
• C1-C5-alkyl,
• wherein one or more hydrogen atoms are optionally, independently from each other substituted by deuterium, CN, CF3, or F;
• C1-C5-alkoxy,
• wherein one or more hydrogen atoms are optionally, independently from each other substituted by deuterium, CN, CF3, or F;
• C1-C5-thioalkoxy,
• wherein one or more hydrogen atoms are optionally, independently from each other substituted by deuterium, CN, CF3, or F;
• C2-C5-alkenyl,
• wherein one or more hydrogen atoms are optionally, independently from each other substituted by deuterium, CN, CF3, or F;
• C2-C5-alkynyl,
• wherein one or more hydrogen atoms are optionally, independently from each other substituted by deuterium, CN, CF3, or F;
• C6-C18-aryl,
• which is optionally substituted with one or more C1-C5-alkyl substituents;
• C3-C17-heteroaryl,
• which is optionally substituted with one or more C1-C5-alkyl substituents;
• N(C6-C18-aryl)2;
• N(C3-C17-heteroaryl)2,
• and N(C3-C17-heteroaryl)(C6-C18-aryl);
• wherein the substituents Ra, R3, R4 or R5 independently from each other optionally form a mono- or polycyclic, aliphatic, aromatic and/or benzo-fused ring system with one or more substituents Ra, R3, R4 or R5;
• wherein
• exactly one ring atom selected from the group consisting of LT, LV and LW is N,
• exactly one substituent selected from the group consisting of RT, RV and RW is CN,
• exactly one substituent selected from the group consisting of LW, Y and X represents the binding site of a single bond linking the first chemical moiety and one of the two second chemical moieties, and
• exactly one substituent selected from the group consisting of RW, RY and RX represents the binding site of a single bond linking the first chemical moiety and one of the two second chemical moieties,
• wherein the two second chemical moieties, each at each occurrence independently from another comprise a structure of formula IIc:
• wherein
• Rb is at each occurrence independently from another selected from the group consisting of:
• deuterium, N(R5)2, OR5, Si(R5)3, B(OR5)2, OSO2R5, CF3, CN, F, Br, I,
• C1-C40-alkyl,
• which is optionally substituted with one or more substituents R5 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R5C═CR5, C≡C, Si(R5)2, Ge(R5)2, Sn(R5)2, C═O, C═S, C═Se, C═NR5, P(═O)(R5), SO, SO2, NR5, O, S or CONR5;
• C1-C40-alkoxy,
• which is optionally substituted with one or more substituents R5 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R5C═CR5, C≡C, Si(R5)2, Ge(R5)2, Sn(R5)2, C═O, C═S, C═Se, C═NR5, P(═O)(R5), SO, SO2, NR5, O, S or CONR5;
• C1-C40-thioalkoxy,
• which is optionally substituted with one or more substituents R5 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R5C═CR5, C≡C, Si(R5)2, Ge(R5)2, Sn(R5)2, C═O, C═S, C═Se, C═NR5, P(═O)(R5), SO, SO2, NR5, O, S or CONR5;
• C2-C40-alkenyl,
• which is optionally substituted with one or more substituents R5 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R5C═CR5, C≡C, Si(R5)2, Ge(R5)2, Sn(R5)2, C═O, C═S, C═Se, C═NR5, P(═O)(R5), SO, SO2, NR5, O, S or CONR5;
• C2-C40-alkynyl,
• which is optionally substituted with one or more substituents R5 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R5C═CR5, C≡C, Si(R5)2, Ge(R5)2, Sn(R5)2, C═O, C═S, C═Se, C═NR5, P(═O)(R5), SO, SO2, NR5, O, S or CONR5;
• C6-C60-aryl,
• which is optionally substituted with one or more substituents R5;
• and
• C3-C57-heteroaryl,
• which is optionally substituted with one or more substituents R5.