C178H115N11O4 — CID 157116174
2-[4-[4-(4-dibenzofuran-2-ylphenyl)-6-phenyl-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine;1-[4-[4-(4-dibenzofuran-2-ylphenyl)-6-phenyl-2-pyridinyl]phenyl]-2-phenylbenzimidazole;2-[4-[4-(4-dibenzofuran-2-ylphenyl)-6-phenyl-2-pyridinyl]phenyl]-1-phenylbenzimidazole;4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2-phenyl-[1]benzofuro[3,2-b]pyridine (PubChem CID 157116174) has the molecular formula C178H115N11O4 and a molecular weight of 2471.95 g/mol. Its IUPAC name is 2-[4-[4-(4-dibenzofuran-2-ylphenyl)-6-phenyl-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine;1-[4-[4-(4-dibenzofuran-2-ylphenyl)-6-phenyl-2-pyridinyl]phenyl]-2-phenylbenzimidazole;2-[4-[4-(4-dibenzofuran-2-ylphenyl)-6-phenyl-2-pyridinyl]phenyl]-1-phenylbenzimidazole;4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2-phenyl-[1]benzofuro[3,2-b]pyridine.
| Compound Name | 2-[4-[4-(4-dibenzofuran-2-ylphenyl)-6-phenyl-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine;1-[4-[4-(4-dibenzofuran-2-ylphenyl)-6-phenyl-2-pyridinyl]phenyl]-2-phenylbenzimidazole;2-[4-[4-(4-dibenzofuran-2-ylphenyl)-6-phenyl-2-pyridinyl]phenyl]-1-phenylbenzimidazole;4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2-phenyl-[1]benzofuro[3,2-b]pyridine |
|---|---|
| PubChem CID | 157116174 |
| Molecular Formula | C178H115N11O4 |
| Molecular Weight | 2471.95 g/mol |
| Exact Mass | 2469.91 |
| IUPAC Name | 2-[4-[4-(4-dibenzofuran-2-ylphenyl)-6-phenyl-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine;1-[4-[4-(4-dibenzofuran-2-ylphenyl)-6-phenyl-2-pyridinyl]phenyl]-2-phenylbenzimidazole;2-[4-[4-(4-dibenzofuran-2-ylphenyl)-6-phenyl-2-pyridinyl]phenyl]-1-phenylbenzimidazole;4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2-phenyl-[1]benzofuro[3,2-b]pyridine |
| SMILES | c1ccc(-c2cc(-c3ccc(-c4cc(-c5ccccc5)nc5c4oc4ccccc45)cc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc(-c3ccc(-c4cn5ccccc5n4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3)n2)cc1 |
| InChI | InChI=1S/2C48H31N3O.C42H27N3O.C40H26N2O/c1-3-11-34(12-4-1)43-30-38(33-21-19-32(20-22-33)37-25-28-47-41(29-37)40-15-7-10-18-46(40)52-47)31-44(49-43)35-23-26-39(27-24-35)51-45-17-9-8-16-42(45)50-48(51)36-13-5-2-6-14-36;1-3-11-34(12-4-1)43-30-38(33-21-19-32(20-22-33)37-27-28-47-41(29-37)40-15-7-10-18-46(40)52-47)31-44(49-43)35-23-25-36(26-24-35)48-50-42-16-8-9-17-45(42)51(48)39-13-5-2-6-14-39;1-2-8-30(9-3-1)37-25-34(26-38(43-37)31-17-19-32(20-18-31)39-27-45-23-7-6-12-42(45)44-39)29-15-13-28(14-16-29)33-21-22-41-36(24-33)35-10-4-5-11-40(35)46-41;1-4-12-29(13-5-1)35-24-32(25-36(41-35)30-14-6-2-7-15-30)27-20-22-28(23-21-27)34-26-37(31-16-8-3-9-17-31)42-39-33-18-10-11-19-38(33)43-40(34)39/h2*1-31H;1-27H;1-26H |
| InChIKey | AHKWXYXDEZUJJM-UHFFFAOYSA-N |
| XLogP | 46.98 |
| TPSA | 169.95 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 193 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2471.95 |
| LogP ≤ 5 | 46.98 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |