C300H246N12 — CID 161496271
N-[4-[4-(9-cyclohexylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N,4-diphenylaniline;N-[4-[5-(9-cyclohexylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N,4-diphenylaniline;N-[4-[3-(9-cyclohexylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline;3-[3-(9-cyclohexylcarbazol-3-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline;3-[4-(9-cyclohexylcarbazol-3-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline;4-[4-(9-cyclohexylcarbazol-3-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 161496271) has the molecular formula C300H246N12 and a molecular weight of 4019.35 g/mol. Its IUPAC name is N-[4-[4-(9-cyclohexylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N,4-diphenylaniline;N-[4-[5-(9-cyclohexylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N,4-diphenylaniline;N-[4-[3-(9-cyclohexylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline;3-[3-(9-cyclohexylcarbazol-3-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline;3-[4-(9-cyclohexylcarbazol-3-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline;4-[4-(9-cyclohexylcarbazol-3-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine.
| Compound Name | N-[4-[4-(9-cyclohexylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N,4-diphenylaniline;N-[4-[5-(9-cyclohexylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N,4-diphenylaniline;N-[4-[3-(9-cyclohexylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline;3-[3-(9-cyclohexylcarbazol-3-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline;3-[4-(9-cyclohexylcarbazol-3-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline;4-[4-(9-cyclohexylcarbazol-3-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine |
|---|---|
| PubChem CID | 161496271 |
| Molecular Formula | C300H246N12 |
| Molecular Weight | 4019.35 g/mol |
| Exact Mass | 4015.96 |
| IUPAC Name | N-[4-[4-(9-cyclohexylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N,4-diphenylaniline;N-[4-[5-(9-cyclohexylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N,4-diphenylaniline;N-[4-[3-(9-cyclohexylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline;3-[3-(9-cyclohexylcarbazol-3-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline;3-[4-(9-cyclohexylcarbazol-3-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline;4-[4-(9-cyclohexylcarbazol-3-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine |
| SMILES | c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6C5CCCCC5)c5ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6C5CCCCC5)cc4)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6C5CCCCC5)c4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc5c(-c6ccc7c(c6)c6ccccc6n7C6CCCCC6)cccc45)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6C5CCCCC5)cc4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6C5CCCCC5)c4)c3)cc2)cc1 |
| InChI | InChI=1S/3C52H42N2.3C48H40N2/c1-4-14-37(15-5-1)38-26-31-43(32-27-38)53(41-16-6-2-7-17-41)44-33-28-39(29-34-44)45-21-12-24-48-46(22-13-23-47(45)48)40-30-35-52-50(36-40)49-20-10-11-25-51(49)54(52)42-18-8-3-9-19-42;1-4-14-37(15-5-1)38-24-29-43(30-25-38)53(41-16-6-2-7-17-41)44-31-26-39(27-32-44)45-33-34-46(48-21-11-10-20-47(45)48)40-28-35-52-50(36-40)49-22-12-13-23-51(49)54(52)42-18-8-3-9-19-42;1-4-14-37(15-5-1)38-28-31-44(32-29-38)53(42-16-6-2-7-17-42)51-35-33-45(46-20-10-11-21-47(46)51)40-26-24-39(25-27-40)41-30-34-52-49(36-41)48-22-12-13-23-50(48)54(52)43-18-8-3-9-19-43;1-4-14-35(15-5-1)36-26-29-43(30-27-36)49(41-19-6-2-7-20-41)44-23-13-18-39(33-44)37-16-12-17-38(32-37)40-28-31-48-46(34-40)45-24-10-11-25-47(45)50(48)42-21-8-3-9-22-42;1-4-13-35(14-5-1)36-23-28-43(29-24-36)49(41-17-6-2-7-18-41)44-30-25-37(26-31-44)38-15-12-16-39(33-38)40-27-32-48-46(34-40)45-21-10-11-22-47(45)50(48)42-19-8-3-9-20-42;1-4-13-35(14-5-1)36-27-30-43(31-28-36)49(41-16-6-2-7-17-41)44-20-12-15-39(33-44)37-23-25-38(26-24-37)40-29-32-48-46(34-40)45-21-10-11-22-47(45)50(48)42-18-8-3-9-19-42/h2*1-2,4-7,10-17,20-36,42H,3,8-9,18-19H2;1-2,4-7,10-17,20-36,43H,3,8-9,18-19H2;1-2,4-7,10-20,23-34,42H,3,8-9,21-22H2;1-2,4-7,10-18,21-34,42H,3,8-9,19-20H2;1-2,4-7,10-17,20-34,42H,3,8-9,18-19H2 |
| InChIKey | WGGCERAIDMUWAL-UHFFFAOYSA-N |
| XLogP | 86.08 |
| TPSA | 49.02 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 312 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4019.35 |
| LogP ≤ 5 | 86.08 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |