Organic molecules for optoelectronic devices

An organic molecule, comprising

• a first chemical moiety comprising of a structure of Formula I:
• two or more second chemical moieties, each comprising a structure of Formula II:
• and
• one or more third chemical moieties comprising structure of Formula III:
• wherein:
• the first chemical moiety is linked to each of the second chemical moieties via a single bond;
• W is a binding site of the single bond linking the first chemical moiety to a second chemical moiety of the second chemical moieties,
• Q is at each occurrence and independently W or is R1,
• X1 and X2 is each occurrence independently of each other N or CRa, and at least one of X1 or X2 is N,
• # represents a binding site of the first chemical moiety to the second chemical moiety,
• RT is at each occurrence independently selected from the group consisting of a binding site to the at least one third chemical moiety and R1, wherein at least one RT is the binding site to a third chemical moiety of the third chemical moieties,
• the dashed line “”, resents a binding site of a single bond between the third chemical moiety to the first chemical moiety at RT,
• Z is at each occurrence independently from each other 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, RI, RII, RIII, and RIV are at each occurrence independently from each other selected from the group consisting of:
• hydrogen;
• deuterium;
• phenyl;
• 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 are at each occurrence independently from each other 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 each other 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;
• C2-C40-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 each other 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 optionally, any of the substituents R1, RI, RII, RIII, and RIV independently from each other form a mono- or polycyclic, aliphatic, aromatic, or heteroaromatic ring system with one or more other substituents R1, RI, RII, RIII, and/or RIV;
• and
• wherein optionally, any of the substituents Ro, Ra, R4, or R5 independently from each other form a mono- or polycyclic, aliphatic, aromatic, or heteroaromatic ring system with one or more other substituents Ra, R3, R4, and/or R5.