C177H124N10 — CID 160761168
3,9-diphenyl-N,N-bis(4-phenylphenyl)pyrrolo[3,2-b]carbazol-6-amine;N-[4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)phenyl]-9,9-diphenyl-N-(4-pyridin-2-ylphenyl)fluoren-2-amine (PubChem CID 160761168) has the molecular formula C177H124N10 and a molecular weight of 2391.01 g/mol. Its IUPAC name is 3,9-diphenyl-N,N-bis(4-phenylphenyl)pyrrolo[3,2-b]carbazol-6-amine;N-[4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)phenyl]-9,9-diphenyl-N-(4-pyridin-2-ylphenyl)fluoren-2-amine.
| Compound Name | 3,9-diphenyl-N,N-bis(4-phenylphenyl)pyrrolo[3,2-b]carbazol-6-amine;N-[4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)phenyl]-9,9-diphenyl-N-(4-pyridin-2-ylphenyl)fluoren-2-amine |
|---|---|
| PubChem CID | 160761168 |
| Molecular Formula | C177H124N10 |
| Molecular Weight | 2391.01 g/mol |
| Exact Mass | 2389.00 |
| IUPAC Name | 3,9-diphenyl-N,N-bis(4-phenylphenyl)pyrrolo[3,2-b]carbazol-6-amine;N-[4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)phenyl]-9,9-diphenyl-N-(4-pyridin-2-ylphenyl)fluoren-2-amine |
| SMILES | CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4cc6c(ccn6-c6ccccc6)cc4n5-c4ccccc4)cc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3cc5c(ccn5-c5ccccc5)cc3n4-c3ccccc3)cc2)cc1.c1ccc(-n2ccc3cc4c(cc32)c2cc(-c3ccc(N(c5ccc(-c6ccccn6)cc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc3)ccc2n4-c2ccccc2)cc1 |
| InChI | InChI=1S/C68H46N4.C59H43N3.C50H35N3/c1-5-17-51(18-6-1)68(52-19-7-2-8-20-52)62-26-14-13-25-58(62)59-38-37-57(45-63(59)68)71(56-35-30-48(31-36-56)64-27-15-16-41-69-64)55-33-28-47(29-34-55)49-32-39-65-60(43-49)61-46-66-50(40-42-70(66)53-21-9-3-10-22-53)44-67(61)72(65)54-23-11-4-12-24-54;1-59(2)54-21-13-12-20-50(54)51-32-31-49(38-55(51)59)61(47-27-22-41(23-28-47)40-14-6-3-7-15-40)48-29-24-42(25-30-48)43-26-33-56-52(36-43)53-39-57-44(34-35-60(57)45-16-8-4-9-17-45)37-58(53)62(56)46-18-10-5-11-19-46;1-5-13-36(14-6-1)38-21-25-43(26-22-38)52(44-27-23-39(24-28-44)37-15-7-2-8-16-37)45-29-30-48-46(34-45)47-35-49-40(31-32-51(49)41-17-9-3-10-18-41)33-50(47)53(48)42-19-11-4-12-20-42/h1-46H;3-39H,1-2H3;1-35H |
| InChIKey | RYBYAMAXEOHDAJ-UHFFFAOYSA-N |
| XLogP | 46.66 |
| TPSA | 52.19 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 187 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2391.01 |
| LogP ≤ 5 | 46.66 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |