C138H96N6 — CID 160726392
5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-8-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-9-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-10-amine (PubChem CID 160726392) has the molecular formula C138H96N6 and a molecular weight of 1838.33 g/mol. Its IUPAC name is 5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-8-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-9-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-10-amine.
| Compound Name | 5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-8-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-9-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-10-amine |
|---|---|
| PubChem CID | 160726392 |
| Molecular Formula | C138H96N6 |
| Molecular Weight | 1838.33 g/mol |
| Exact Mass | 1836.77 |
| IUPAC Name | 5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-8-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-9-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-10-amine |
| SMILES | c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4cc5c(cc4c3)c3ccccc3n5-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4cc5c6ccccc6n(-c6ccccc6)c5cc4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4cc5c(cc34)c3ccccc3n5-c3ccccc3)cc2)cc1 |
| InChI | InChI=1S/3C46H32N2/c1-4-13-33(14-5-1)35-23-27-39(28-24-35)47(40-29-25-36(26-30-40)34-15-6-2-7-16-34)45-22-12-17-37-31-46-43(32-42(37)45)41-20-10-11-21-44(41)48(46)38-18-8-3-9-19-38;1-4-12-33(13-5-1)35-20-25-40(26-21-35)47(41-27-22-36(23-28-41)34-14-6-2-7-15-34)42-29-24-37-32-46-44(31-38(37)30-42)43-18-10-11-19-45(43)48(46)39-16-8-3-9-17-39;1-4-12-33(13-5-1)35-20-25-40(26-21-35)47(41-27-22-36(23-28-41)34-14-6-2-7-15-34)42-29-24-37-31-44-43-18-10-11-19-45(43)48(39-16-8-3-9-17-39)46(44)32-38(37)30-42/h3*1-32H |
| InChIKey | RTTQNSCNQMEHDW-UHFFFAOYSA-N |
| XLogP | 38.22 |
| TPSA | 24.51 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 144 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1838.33 |
| LogP ≤ 5 | 38.22 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |