C165H118N6 — CID 161489834
4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine;6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine;4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline (PubChem CID 161489834) has the molecular formula C165H118N6 and a molecular weight of 2184.80 g/mol. Its IUPAC name is 4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine;6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine;4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline.
| Compound Name | 4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine;6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine;4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline |
|---|---|
| PubChem CID | 161489834 |
| Molecular Formula | C165H118N6 |
| Molecular Weight | 2184.80 g/mol |
| Exact Mass | 2182.94 |
| IUPAC Name | 4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine;6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine;4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline |
| SMILES | CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cc2)cc1.CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(N(c2ccccc2)c2ccc(-c3ccc4ccccc4c3)cc2)c2ccccc12.CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc2cc(N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)ccc2c1 |
| InChI | InChI=1S/C59H42N2.2C53H38N2/c1-59(2)55-22-12-10-20-50(55)53-38-58-54(37-56(53)59)51-21-11-13-23-57(51)61(58)46-32-26-40(27-33-46)39-24-30-44(31-25-39)60(43-15-4-3-5-16-43)45-34-28-41(29-35-45)52-36-42-14-6-7-17-47(42)48-18-8-9-19-49(48)52;1-53(2)49-18-10-8-16-45(49)47-34-52-48(33-50(47)53)46-17-9-11-19-51(46)55(52)44-29-25-39-31-43(28-24-40(39)32-44)54(41-14-4-3-5-15-41)42-26-22-36(23-27-42)38-21-20-35-12-6-7-13-37(35)30-38;1-53(2)47-22-12-10-18-41(47)45-34-52-46(33-48(45)53)44-21-11-13-23-49(44)55(52)51-31-30-50(42-19-8-9-20-43(42)51)54(39-16-4-3-5-17-39)40-28-26-36(27-29-40)38-25-24-35-14-6-7-15-37(35)32-38/h3-38H,1-2H3;2*3-34H,1-2H3 |
| InChIKey | WFLPEUNIWSULQU-UHFFFAOYSA-N |
| XLogP | 45.27 |
| TPSA | 24.51 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 171 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2184.80 |
| LogP ≤ 5 | 45.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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