Organic molecules for optoelectronic devices

An organic molecule, comprising a structure represented by Formula IIIe-0:

• Formula IIIe-0, and
• wherein in Formula IIIe-0,
• Q1 is selected from the group consisting of C and CRIII;
• Q2 is selected from the group consisting of C and CRII;
• Q3 is selected from the group consisting of C and CRI;
• Q4 is selected from the group consisting of C and CR1;
• wherein
• at least one substituent selected from the group consisting of Q2 and Q3 is C;
• and
• when only one substituent selected from the group consisting of Q2 and Q3 is C, exactly one substituent selected from the group consisting of Q1 and Q4 is C;
• R1, R2, R3, RI, RII, RIII, RIV and RV are each independently selected from the group consisting of:
• hydrogen, deuterium, N(R5)2, OR5, SR5, Si(R5)3, B(OR5)2, B(R5)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
• C2-C57-heteroaryl,
• which is optionally substituted with one or more substituents R5;
• Ra is at each occurrence independently selected from the group consisting of:
• hydrogen, deuterium, N(R5)2, OR5, SR5, Si(R5)3, B(OR5)2, B (R5)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
• C2-C57-heteroaryl,
• which is optionally substituted with one or more substituents R5;
• R5 is at each occurrence independently from one another selected from the group consisting of:
• hydrogen, deuterium, N(R6)2, OR6, Si(R6)3, B(OR6)2, B(R6)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
• C2-C57-heteroaryl,
• which is optionally substituted with one or more substituents R6;
• R6 is at each occurrence independently from one 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;
• C2-C17-heteroaryl,
• which is optionally substituted with one or more C1-C5-alkyl substituents;
• N(C6-C18-aryl)2;
• N(C2-C17-heteroaryl)2;
• and
• N(C2-C17-heteroaryl)(C6-C18-aryl);
• wherein any of the substituents Ra and R5 optionally form a mono- or polycyclic, aliphatic, aromatic, heteroaromatic and/or benzo-fused ring system with one or more adjacent substituents selected from among Ra and R5;
• and
• wherein any of the substituents R1, R2, R3, R5, RI, RII, RIII, RIV, and RV optionally form a mono- or polycyclic, aliphatic, aromatic, heteroaromatic and/or benzo-fused ring system with one or more adjacent substituents R1, R2, R3, R5, RI, RII, RIII, RIV and/or RV.