C165H108N15+ — CID 159098605
3-[4-(3H-imidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-diphenylnaphtho[1,2-g]indole;6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphtho[1,2-g]indole;6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-diphenyl-3-(6-pyridin-4-yl-2-pyridinyl)naphtho[1,2-g]indole (PubChem CID 159098605) has the molecular formula C165H108N15+ and a molecular weight of 2300.78 g/mol. Its IUPAC name is 3-[4-(3H-imidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-diphenylnaphtho[1,2-g]indole;6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphtho[1,2-g]indole;6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-diphenyl-3-(6-pyridin-4-yl-2-pyridinyl)naphtho[1,2-g]indole.
| Compound Name | 3-[4-(3H-imidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-diphenylnaphtho[1,2-g]indole;6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphtho[1,2-g]indole;6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-diphenyl-3-(6-pyridin-4-yl-2-pyridinyl)naphtho[1,2-g]indole |
|---|---|
| PubChem CID | 159098605 |
| Molecular Formula | C165H108N15+ |
| Molecular Weight | 2300.78 g/mol |
| Exact Mass | 2298.89 |
| IUPAC Name | 3-[4-(3H-imidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-diphenylnaphtho[1,2-g]indole;6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphtho[1,2-g]indole;6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-diphenyl-3-(6-pyridin-4-yl-2-pyridinyl)naphtho[1,2-g]indole |
| SMILES | c1ccc(-c2c(-c3ccccc3)n(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3c2ccc2c4cccc(-c5ccc(-c6cn7ccccc7n6)cc5)c4ccc23)cc1.c1ccc(-c2c(-c3ccccc3)n(-c3ccc(C4=Nc5cccc[n+]5C4)cc3)c3c2ccc2c4cccc(-c5ccc(-c6cn7ccccc7n6)cc5)c4ccc23)cc1.c1ccc(-c2c(-c3ccccc3)n(-c3cccc(-c4ccncc4)n3)c3c2ccc2c4cccc(-c5ccc(-c6cn7ccccc7n6)cc5)c4ccc23)cc1 |
| InChI | InChI=1S/C60H39N5.C54H36N5.C51H33N5/c1-4-15-42(16-5-1)57-52-37-35-50-48-22-14-21-47(40-26-28-41(29-27-40)54-39-63-38-13-12-25-56(63)61-54)49(48)34-36-51(50)59(52)65(58(57)43-17-6-2-7-18-43)46-32-30-44(31-33-46)60-62-53-23-10-11-24-55(53)64(60)45-19-8-3-9-20-45;1-3-12-39(13-4-1)52-47-31-29-45-43-17-11-16-42(36-20-22-37(23-21-36)48-34-57-32-9-7-18-50(57)55-48)44(43)28-30-46(45)54(47)59(53(52)40-14-5-2-6-15-40)41-26-24-38(25-27-41)49-35-58-33-10-8-19-51(58)56-49;1-3-11-37(12-4-1)49-44-27-25-42-40-16-9-15-39(34-20-22-35(23-21-34)46-33-55-32-8-7-18-47(55)54-46)41(40)24-26-43(42)51(44)56(50(49)38-13-5-2-6-14-38)48-19-10-17-45(53-48)36-28-30-52-31-29-36/h1-39H;1-34H,35H2;1-33H/q;+1; |
| InChIKey | UIJGSIXXKXJYIT-UHFFFAOYSA-N |
| XLogP | 40.64 |
| TPSA | 126.53 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 180 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2300.78 |
| LogP ≤ 5 | 40.64 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
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