Organic molecules for use in optoelectronic devices

An organic molecule, comprising

• a first chemical moiety comprising a structure of Formula I:
• and
• two second chemical moieties, each 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
• T is selected from the group consisting of RA and R1;
• V is selected from the group consisting of RA and R1;
• W 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 RA and R2;
• 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;
• RA is 1,3,5-triazinyl substituted with two substituents RTZ:
• which is bonded to the structure of Formula I via the position marked by the dotted line;
• 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;
• RTz 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;
• C6-C18-aryl,
• which is optionally substituted with one or more substituents R6;
• and
• C3-C17-heteroaryl,
• 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═0, 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 substituent selected from the group consisting of T, V and W is RA,
• exactly one substituent selected from the group consisting of RT, Rv and RW is CN,
• exactly one substituent selected from the group consisting of W, 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.