C164H106N6 — CID 159388535
2-[9-(3-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-naphthalen-1-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole (PubChem CID 159388535) has the molecular formula C164H106N6 and a molecular weight of 2160.69 g/mol. Its IUPAC name is 2-[9-(3-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-naphthalen-1-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole.
| Compound Name | 2-[9-(3-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-naphthalen-1-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole |
|---|---|
| PubChem CID | 159388535 |
| Molecular Formula | C164H106N6 |
| Molecular Weight | 2160.69 g/mol |
| Exact Mass | 2158.85 |
| IUPAC Name | 2-[9-(3-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-naphthalen-1-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole |
| SMILES | c1ccc(-c2ccccc2-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6ccc(-c7c8ccccc8cc8ccccc78)cc6)c5c4)cc32)cc1.c1ccc(-c2ccccc2-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6ccc(-c7cccc8ccccc78)cc6)c5c4)cc32)cc1.c1ccc(-c2ccccc2-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6cccc(-c7c8ccccc8cc8ccccc78)c6)c5c4)cc32)cc1 |
| InChI | InChI=1S/2C56H36N2.C52H34N2/c1-2-15-37(16-3-1)44-21-8-11-26-51(44)58-53-28-13-10-25-48(53)50-32-30-39(36-55(50)58)38-29-31-49-47-24-9-12-27-52(47)57(54(49)35-38)43-20-14-19-42(34-43)56-45-22-6-4-17-40(45)33-41-18-5-7-23-46(41)56;1-2-14-37(15-3-1)44-18-8-11-23-51(44)58-53-25-13-10-22-48(53)50-33-29-40(36-55(50)58)39-28-32-49-47-21-9-12-24-52(47)57(54(49)35-39)43-30-26-38(27-31-43)56-45-19-6-4-16-41(45)34-42-17-5-7-20-46(42)56;1-2-13-36(14-3-1)43-18-6-9-22-48(43)54-50-24-11-8-20-45(50)47-32-28-39(34-52(47)54)38-27-31-46-44-19-7-10-23-49(44)53(51(46)33-38)40-29-25-37(26-30-40)42-21-12-16-35-15-4-5-17-41(35)42/h2*1-36H;1-34H |
| InChIKey | LLUSWUHIPIDHLO-UHFFFAOYSA-N |
| XLogP | 44.41 |
| TPSA | 29.58 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 170 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2160.69 |
| LogP ≤ 5 | 44.41 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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