Organic molecules for optoelectronic devices

An organic molecule comprising:

• a structure of Formula I:
• wherein
• R1 and R2 is independently from each other selected from the group consisting of:
• C1-C5-alkyl,
• which is optionally substituted with one or more substituents R6;
• 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;
• and
• a second chemical moiety that is linked to the structure shown in Formula I via a single bond, wherein the second chemical moiety comprises a structure of Formula II:
• wherein
• RI, RII, RIII, RIV, RV, RVI, RVII, RVIII, RIX, RX and RXI is each independently selected from the group consisting of:
• hydrogen,
• deuterium,
• N(R5)2,
• OR5,
• SR5,
• Si(R5)3,
• B(OR5)2,
• OSO2R5,
• CF3,
• CN,
• halogen,
• 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;
• n is 0 or 1 at each occurrence;
• m=1-n at each occurrence;
• s is 0 or 1 at each occurrence;
• r=1−s at each occurrence;
• T is selected from the group consisting of a single bond, Si(R3)2, C(R3)2 and BR3;
• V is selected from the group consisting of a single bond, Si(R3)2, C(R3)2 and BR3;
• RA1, RA2, RA3 and RA4 are at each occurrence independently selected from the group consisting of:
• the binding site of a single bond linking the second chemical moiety to the structure shown in formula I,
• hydrogen,
• deuterium,
• N(R5)2,
• OR5,
• SR5,
• Si(R5)3,
• B(OR5)2,
• OSO2R5,
• CF3,
• CN,
• halogen,
• 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═0, 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;
• wherein independently for each occurrence of the second chemical moiety, exactly one substituent from the group consisting of RA1, RA2, RA3 and RA4 is the binding site of a single bond linking the second chemical moiety to the structure shown in Formula I;
• RA5, RA6, RA7, RA8, RA9, RA10, RA11, RA12, RA13, RA14, RA15, RA16, RA17, RA18, RA19 and RA20 are each occurrence independently selected from the group consisting of:
• hydrogen,
• deuterium,
• N(R5)2,
• OR5,
• SR5,
• Si(R5)3,
• B(OR5)2,
• OSO2R5,
• CF3,
• CN,
• halogen,
• 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═0, 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 selected from the group consisting of:
• hydrogen, deuterium, OPh, SPh, CF3, CN, F, Si(C1-C5-alkyl)3, Si(Ph)3,
• C1-C5-alkyl,
• wherein optionally one or more hydrogen atoms are independently from each other substituted by deuterium, CN, CF3, or F;
• C1-C5-alkoxy,
• wherein optionally one or more hydrogen atoms are independently from each other substituted by deuterium, CN, CF3, or F;
• C1-C5-thioalkoxy,
• wherein optionally one or more hydrogen atoms are independently from each other substituted by deuterium, CN, CF3, or F;
• C2-C5-alkenyl,
• wherein optionally one or more hydrogen atoms are independently from each other substituted by deuterium, CN, CF3, or F;
• C2-C5-alkynyl,
• wherein optionally one or more hydrogen atoms are 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);
• R6 is at each occurrence independently selected from the group consisting of hydrogen, deuterium, OPh, SPh, CF3, CN, F, Si(C1-C5-alkyl)3, Si(Ph)3,
• C1-C5-alkyl,
• wherein optionally one or more hydrogen atoms are independently from each other substituted by deuterium, CN, CF3, or F;
• C1-C5-alkoxy,
• wherein optionally one or more hydrogen atoms are independently from each other substituted by deuterium, CN, CF3, or F;
• C1-C5-thioalkoxy,
• wherein optionally one or more hydrogen atoms are independently from each other substituted by deuterium, CN, CF3, or F;
• C2-C5-alkenyl,
• wherein optionally one or more hydrogen atoms are independently from each other substituted by deuterium, CN, CF3, or F;
• C2-C5-alkynyl,
• wherein optionally one or more hydrogen atoms are 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);
• optionally, at least one of RI, RII, RIII, RIV, RV, RVI, RVII, RVIII, RIX, RX, RXI, R1, R2, RA1, RA2, RA3, RA4, RA5, RA6, RA7, RA8, RA9, RA10, RA11, RA12, RA13, RA14, RA15, RA16, RA17, RA18, RA19 and RA20 at each occurrence forms a mono- or polycyclic, aliphatic, aromatic and/or benzo-fused ring system with one or more other substituents selected from the group consisting of RI, RII, RIII, RIV, RV, RVI, RVII, RVIII, RIX, RX, RXI, R1, R2, RA1, RA2, RA3, RA4, RA5, RA6, RA7, RA8, RA9, RA10, RA11, RA12, RA13, RA14, RA15, RA16, RA17, RA18, RA19 and RA20;
• wherein at least one substituent selected from the group consisting of R1 and R2 is a second chemical moiety.