C165H106N16 — CID 161320232
5-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5-[4-(1,10-phenanthrolin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]indolo[2,3-b]carbazole;7-phenyl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]indolo[2,3-b]carbazole (PubChem CID 161320232) has the molecular formula C165H106N16 and a molecular weight of 2312.77 g/mol. Its IUPAC name is 5-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5-[4-(1,10-phenanthrolin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]indolo[2,3-b]carbazole;7-phenyl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]indolo[2,3-b]carbazole.
| Compound Name | 5-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5-[4-(1,10-phenanthrolin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]indolo[2,3-b]carbazole;7-phenyl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]indolo[2,3-b]carbazole |
|---|---|
| PubChem CID | 161320232 |
| Molecular Formula | C165H106N16 |
| Molecular Weight | 2312.77 g/mol |
| Exact Mass | 2310.88 |
| IUPAC Name | 5-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5-[4-(1,10-phenanthrolin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]indolo[2,3-b]carbazole;7-phenyl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]indolo[2,3-b]carbazole |
| SMILES | c1ccc(-c2nc3ccccc3n2-c2ccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)cc2)cc1.c1ccc(-n2c(-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)cc3)nc3ccccc32)cc1.c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc(-c6ccc7ccc8cccnc8c7n6)cc5)c4cc32)cc1.c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc(-c6cn7ccccc7n6)cc5)c4cc32)cc1 |
| InChI | InChI=1S/2C43H28N4.C42H26N4.C37H24N4/c1-3-13-30(14-4-1)45-38-20-10-7-17-33(38)35-27-36-34-18-8-11-21-39(34)46(42(36)28-41(35)45)32-25-23-29(24-26-32)43-44-37-19-9-12-22-40(37)47(43)31-15-5-2-6-16-31;1-3-13-29(14-4-1)43-44-37-19-9-12-22-40(37)47(43)32-25-23-31(24-26-32)46-39-21-11-8-18-34(39)36-27-35-33-17-7-10-20-38(33)45(41(35)28-42(36)46)30-15-5-2-6-16-30;1-2-10-30(11-3-1)45-37-14-6-4-12-32(37)34-25-35-33-13-5-7-15-38(33)46(40(35)26-39(34)45)31-21-18-27(19-22-31)36-23-20-29-17-16-28-9-8-24-43-41(28)42(29)44-36;1-2-10-26(11-3-1)40-33-14-6-4-12-28(33)30-22-31-29-13-5-7-15-34(29)41(36(31)23-35(30)40)27-19-17-25(18-20-27)32-24-39-21-9-8-16-37(39)38-32/h2*1-28H;1-26H;1-24H |
| InChIKey | VKAURMJLCNQLPD-UHFFFAOYSA-N |
| XLogP | 41.61 |
| TPSA | 118.16 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 181 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2312.77 |
| LogP ≤ 5 | 41.61 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
|---|