C159H103N9O3 — CID 165010573
8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,4-triphenylfuro[3,2-c]quinoline;8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,4-triphenylfuro[3,2-c]quinoline;2,3,4-triphenyl-8-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[3,2-c]quinoline (PubChem CID 165010573) has the molecular formula C159H103N9O3 and a molecular weight of 2187.63 g/mol. Its IUPAC name is 8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,4-triphenylfuro[3,2-c]quinoline;8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,4-triphenylfuro[3,2-c]quinoline;2,3,4-triphenyl-8-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[3,2-c]quinoline.
| Compound Name | 8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,4-triphenylfuro[3,2-c]quinoline;8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,4-triphenylfuro[3,2-c]quinoline;2,3,4-triphenyl-8-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[3,2-c]quinoline |
|---|---|
| PubChem CID | 165010573 |
| Molecular Formula | C159H103N9O3 |
| Molecular Weight | 2187.63 g/mol |
| Exact Mass | 2185.82 |
| IUPAC Name | 8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,4-triphenylfuro[3,2-c]quinoline;8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,4-triphenylfuro[3,2-c]quinoline;2,3,4-triphenyl-8-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[3,2-c]quinoline |
| SMILES | c1ccc(-c2cc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6c(-c7ccccc7)c(-c7ccccc7)oc6c5c4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc5nc(-c6ccccc6)c6c(-c7ccccc7)c(-c7ccccc7)oc6c5c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6nc(-c7ccccc7)c7c(-c8ccccc8)c(-c8ccccc8)oc7c6c5)cc4)nc(-c4ccccc4)n3)cc2)cc1 |
| InChI | InChI=1S/C57H37N3O.2C51H33N3O/c1-6-16-38(17-7-1)39-26-30-41(31-27-39)50-37-51(60-57(59-50)46-24-14-5-15-25-46)42-32-28-40(29-33-42)47-34-35-49-48(36-47)56-53(54(58-49)44-20-10-3-11-21-44)52(43-18-8-2-9-19-43)55(61-56)45-22-12-4-13-23-45;1-6-17-34(18-7-1)44-33-45(54-51(53-44)38-25-14-5-15-26-38)41-28-16-27-39(31-41)40-29-30-43-42(32-40)50-47(48(52-43)36-21-10-3-11-22-36)46(35-19-8-2-9-20-35)49(55-50)37-23-12-4-13-24-37;1-6-16-35(17-7-1)44-33-45(54-51(53-44)40-24-14-5-15-25-40)36-28-26-34(27-29-36)41-30-31-43-42(32-41)50-47(48(52-43)38-20-10-3-11-21-38)46(37-18-8-2-9-19-37)49(55-50)39-22-12-4-13-23-39/h1-37H;2*1-33H |
| InChIKey | JQHKXFOBYDWJPB-UHFFFAOYSA-N |
| XLogP | 41.99 |
| TPSA | 155.43 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 171 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2187.63 |
| LogP ≤ 5 | 41.99 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |