C171H111N15 — CID 158195374
3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9,10-diphenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphtho[1,2-f]indole;3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9,10-diphenyl-8-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]naphtho[1,2-f]indole;3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9,10-diphenyl-8-(6-pyridin-4-yl-2-pyridinyl)naphtho[1,2-f]indole (PubChem CID 158195374) has the molecular formula C171H111N15 and a molecular weight of 2375.87 g/mol. Its IUPAC name is 3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9,10-diphenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphtho[1,2-f]indole;3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9,10-diphenyl-8-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]naphtho[1,2-f]indole;3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9,10-diphenyl-8-(6-pyridin-4-yl-2-pyridinyl)naphtho[1,2-f]indole.
| Compound Name | 3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9,10-diphenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphtho[1,2-f]indole;3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9,10-diphenyl-8-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]naphtho[1,2-f]indole;3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9,10-diphenyl-8-(6-pyridin-4-yl-2-pyridinyl)naphtho[1,2-f]indole |
|---|---|
| PubChem CID | 158195374 |
| Molecular Formula | C171H111N15 |
| Molecular Weight | 2375.87 g/mol |
| Exact Mass | 2373.91 |
| IUPAC Name | 3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9,10-diphenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphtho[1,2-f]indole;3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9,10-diphenyl-8-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]naphtho[1,2-f]indole;3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9,10-diphenyl-8-(6-pyridin-4-yl-2-pyridinyl)naphtho[1,2-f]indole |
| SMILES | c1ccc(-c2c(-c3ccccc3)n(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3cc4ccc5cc(-c6ccc(-c7cn8ccccc8n7)cc6)ccc5c4cc23)cc1.c1ccc(-c2c(-c3ccccc3)n(-c3ccc(-c4nc5ccccn5c4-c4ccccc4)cc3)c3cc4ccc5cc(-c6ccc(-c7cn8ccccc8n7)cc6)ccc5c4cc23)cc1.c1ccc(-c2c(-c3ccccc3)n(-c3cccc(-c4ccncc4)n3)c3cc4ccc5cc(-c6ccc(-c7cn8ccccc8n7)cc6)ccc5c4cc23)cc1 |
| InChI | InChI=1S/2C60H39N5.C51H33N5/c1-4-14-42(15-5-1)57-52-38-51-48(27-26-47-36-46(30-33-50(47)51)40-22-24-41(25-23-40)53-39-63-34-12-10-20-55(63)61-53)37-54(52)65(59(57)44-16-6-2-7-17-44)49-31-28-43(29-32-49)58-60(45-18-8-3-9-19-45)64-35-13-11-21-56(64)62-58;1-4-14-42(15-5-1)58-52-38-51-47(28-27-46-36-45(31-34-50(46)51)40-23-25-41(26-24-40)54-39-63-35-13-12-22-57(63)61-54)37-56(52)64(59(58)43-16-6-2-7-17-43)49-32-29-44(30-33-49)60-62-53-20-10-11-21-55(53)65(60)48-18-8-3-9-19-48;1-3-10-37(11-4-1)50-44-32-43-41(31-47(44)56(51(50)38-12-5-2-6-13-38)49-16-9-14-45(53-49)36-25-27-52-28-26-36)22-21-40-30-39(23-24-42(40)43)34-17-19-35(20-18-34)46-33-55-29-8-7-15-48(55)54-46/h2*1-39H;1-33H |
| InChIKey | GAGWEWQUXOYVOC-UHFFFAOYSA-N |
| XLogP | 43.20 |
| TPSA | 127.59 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 186 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2375.87 |
| LogP ≤ 5 | 43.20 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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