C166H118N6 — CID 159570370
N-naphthalen-1-yl-9-phenyl-N-[2-(1,2,2-triphenylethenyl)phenyl]carbazol-3-amine;9-phenyl-N-(2-phenylphenyl)-N-[2-(1,2,2-triphenylethenyl)phenyl]carbazol-3-amine;9-phenyl-N-(4-phenylphenyl)-N-[2-(1,2,2-triphenylethenyl)phenyl]carbazol-2-amine (PubChem CID 159570370) has the molecular formula C166H118N6 and a molecular weight of 2196.81 g/mol. Its IUPAC name is N-naphthalen-1-yl-9-phenyl-N-[2-(1,2,2-triphenylethenyl)phenyl]carbazol-3-amine;9-phenyl-N-(2-phenylphenyl)-N-[2-(1,2,2-triphenylethenyl)phenyl]carbazol-3-amine;9-phenyl-N-(4-phenylphenyl)-N-[2-(1,2,2-triphenylethenyl)phenyl]carbazol-2-amine.
| Compound Name | N-naphthalen-1-yl-9-phenyl-N-[2-(1,2,2-triphenylethenyl)phenyl]carbazol-3-amine;9-phenyl-N-(2-phenylphenyl)-N-[2-(1,2,2-triphenylethenyl)phenyl]carbazol-3-amine;9-phenyl-N-(4-phenylphenyl)-N-[2-(1,2,2-triphenylethenyl)phenyl]carbazol-2-amine |
|---|---|
| PubChem CID | 159570370 |
| Molecular Formula | C166H118N6 |
| Molecular Weight | 2196.81 g/mol |
| Exact Mass | 2194.94 |
| IUPAC Name | N-naphthalen-1-yl-9-phenyl-N-[2-(1,2,2-triphenylethenyl)phenyl]carbazol-3-amine;9-phenyl-N-(2-phenylphenyl)-N-[2-(1,2,2-triphenylethenyl)phenyl]carbazol-3-amine;9-phenyl-N-(4-phenylphenyl)-N-[2-(1,2,2-triphenylethenyl)phenyl]carbazol-2-amine |
| SMILES | c1ccc(C(=C(c2ccccc2)c2ccccc2N(c2ccc(-c3ccccc3)cc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2ccccc2)cc1.c1ccc(C(=C(c2ccccc2)c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3ccccc23)c2ccccc2)cc1.c1ccc(C(=C(c2ccccc2)c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccccc2-c2ccccc2)c2ccccc2)cc1 |
| InChI | InChI=1S/2C56H40N2.C54H38N2/c1-6-22-41(23-7-1)47-32-16-19-35-51(47)58(46-38-39-54-50(40-46)48-33-17-20-36-52(48)57(54)45-30-14-5-15-31-45)53-37-21-18-34-49(53)56(44-28-12-4-13-29-44)55(42-24-8-2-9-25-42)43-26-10-3-11-27-43;1-6-20-41(21-7-1)42-34-36-47(37-35-42)57(48-38-39-50-49-30-16-18-32-52(49)58(54(50)40-48)46-28-14-5-15-29-46)53-33-19-17-31-51(53)56(45-26-12-4-13-27-45)55(43-22-8-2-9-23-43)44-24-10-3-11-25-44;1-5-21-40(22-6-1)53(41-23-7-2-8-24-41)54(42-25-9-3-10-26-42)47-32-16-18-34-51(47)56(49-35-19-27-39-20-13-14-30-45(39)49)44-36-37-52-48(38-44)46-31-15-17-33-50(46)55(52)43-28-11-4-12-29-43/h2*1-40H;1-38H |
| InChIKey | MHSSMKUXGGQYQA-UHFFFAOYSA-N |
| XLogP | 44.27 |
| TPSA | 24.51 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 172 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2196.81 |
| LogP ≤ 5 | 44.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
| Structural Alerts | {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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