C239H156N26 — CID 160605946
1,2-diphenyl-3,7-bis(6-pyridin-4-yl-2-pyridinyl)benzo[e]indole;1,2-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-(6-pyridin-4-yl-2-pyridinyl)benzo[e]indole;3-[3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-diphenylbenzo[e]indol-7-yl]-1,10-phenanthroline;3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-diphenyl-7-(6-pyridin-4-yl-2-pyridinyl)benzo[e]indole;3-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,2-diphenyl-7-(6-pyridin-4-yl-2-pyridinyl)benzo[e]indole (PubChem CID 160605946) has the molecular formula C239H156N26 and a molecular weight of 3392.06 g/mol. Its IUPAC name is 1,2-diphenyl-3,7-bis(6-pyridin-4-yl-2-pyridinyl)benzo[e]indole;1,2-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-(6-pyridin-4-yl-2-pyridinyl)benzo[e]indole;3-[3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-diphenylbenzo[e]indol-7-yl]-1,10-phenanthroline;3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-diphenyl-7-(6-pyridin-4-yl-2-pyridinyl)benzo[e]indole;3-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,2-diphenyl-7-(6-pyridin-4-yl-2-pyridinyl)benzo[e]indole.
| Compound Name | 1,2-diphenyl-3,7-bis(6-pyridin-4-yl-2-pyridinyl)benzo[e]indole;1,2-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-(6-pyridin-4-yl-2-pyridinyl)benzo[e]indole;3-[3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-diphenylbenzo[e]indol-7-yl]-1,10-phenanthroline;3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-diphenyl-7-(6-pyridin-4-yl-2-pyridinyl)benzo[e]indole;3-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,2-diphenyl-7-(6-pyridin-4-yl-2-pyridinyl)benzo[e]indole |
|---|---|
| PubChem CID | 160605946 |
| Molecular Formula | C239H156N26 |
| Molecular Weight | 3392.06 g/mol |
| Exact Mass | 3389.30 |
| IUPAC Name | 1,2-diphenyl-3,7-bis(6-pyridin-4-yl-2-pyridinyl)benzo[e]indole;1,2-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-(6-pyridin-4-yl-2-pyridinyl)benzo[e]indole;3-[3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-diphenylbenzo[e]indol-7-yl]-1,10-phenanthroline;3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-diphenyl-7-(6-pyridin-4-yl-2-pyridinyl)benzo[e]indole;3-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,2-diphenyl-7-(6-pyridin-4-yl-2-pyridinyl)benzo[e]indole |
| SMILES | c1ccc(-c2c(-c3ccccc3)n(-c3ccc(-c4cn5ccccc5n4)cc3)c3ccc4cc(-c5cccc(-c6ccncc6)n5)ccc4c23)cc1.c1ccc(-c2c(-c3ccccc3)n(-c3ccc(-c4cn5ccccc5n4)cc3)c3ccc4cc(-c5cnc6c(ccc7cccnc76)c5)ccc4c23)cc1.c1ccc(-c2c(-c3ccccc3)n(-c3ccc(-c4cn5cccnc5n4)cc3)c3ccc4cc(-c5cccc(-c6ccncc6)n5)ccc4c23)cc1.c1ccc(-c2c(-c3ccccc3)n(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3ccc4cc(-c5cccc(-c6ccncc6)n5)ccc4c23)cc1.c1ccc(-c2c(-c3ccccc3)n(-c3cccc(-c4ccncc4)n3)c3ccc4cc(-c5cccc(-c6ccncc6)n5)ccc4c23)cc1 |
| InChI | InChI=1S/C53H35N5.C49H31N5.C47H31N5.C46H30N6.C44H29N5/c1-4-13-37(14-5-1)50-51-44-29-25-41(46-21-12-20-45(55-46)36-31-33-54-34-32-36)35-40(44)26-30-49(51)57(52(50)38-15-6-2-7-16-38)43-27-23-39(24-28-43)53-56-47-19-10-11-22-48(47)58(53)42-17-8-3-9-18-42;1-3-10-33(11-4-1)45-46-41-24-20-36(39-29-38-17-16-34-14-9-26-50-47(34)48(38)51-30-39)28-37(41)21-25-43(46)54(49(45)35-12-5-2-6-13-35)40-22-18-32(19-23-40)42-31-53-27-8-7-15-44(53)52-42;1-3-10-34(11-4-1)45-46-39-23-19-37(41-15-9-14-40(49-41)33-25-27-48-28-26-33)30-36(39)20-24-43(46)52(47(45)35-12-5-2-6-13-35)38-21-17-32(18-22-38)42-31-51-29-8-7-16-44(51)50-42;1-3-9-33(10-4-1)43-44-38-21-17-36(40-14-7-13-39(49-40)32-23-26-47-27-24-32)29-35(38)18-22-42(44)52(45(43)34-11-5-2-6-12-34)37-19-15-31(16-20-37)41-30-51-28-8-25-48-46(51)50-41;1-3-9-32(10-4-1)42-43-36-19-17-35(39-14-7-13-37(47-39)30-21-25-45-26-22-30)29-34(36)18-20-40(43)49(44(42)33-11-5-2-6-12-33)41-16-8-15-38(48-41)31-23-27-46-28-24-31/h1-35H;1-31H;1-31H;1-30H;1-29H |
| InChIKey | REWFSQIDQBQQJY-UHFFFAOYSA-N |
| XLogP | 58.65 |
| TPSA | 261.94 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 265 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3392.06 |
| LogP ≤ 5 | 58.65 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 26 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
|---|