C129H84N12O4 — CID 159082179
10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]furo[3,2-a]carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]furo[3,2-a]carbazole;10-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]furo[3,2-a]carbazole;10-(6-phenyl-2-pyridinyl)furo[3,2-a]carbazole (PubChem CID 159082179) has the molecular formula C129H84N12O4 and a molecular weight of 1866.17 g/mol. Its IUPAC name is 10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]furo[3,2-a]carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]furo[3,2-a]carbazole;10-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]furo[3,2-a]carbazole;10-(6-phenyl-2-pyridinyl)furo[3,2-a]carbazole.
| Compound Name | 10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]furo[3,2-a]carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]furo[3,2-a]carbazole;10-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]furo[3,2-a]carbazole;10-(6-phenyl-2-pyridinyl)furo[3,2-a]carbazole |
|---|---|
| PubChem CID | 159082179 |
| Molecular Formula | C129H84N12O4 |
| Molecular Weight | 1866.17 g/mol |
| Exact Mass | 1864.67 |
| IUPAC Name | 10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]furo[3,2-a]carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]furo[3,2-a]carbazole;10-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]furo[3,2-a]carbazole;10-(6-phenyl-2-pyridinyl)furo[3,2-a]carbazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6occc6c54)cc3)n2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4ccc5occc5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6occc6c54)cc3)n2)cc1.c1ccc(N2c3ccccc3NC2c2ccc(-n3c4ccccc4c4ccc5occc5c43)cc2)cc1 |
| InChI | InChI=1S/C36H23N3O.C35H22N4O.C33H23N3O.C25H16N2O/c1-3-9-24(10-4-1)31-23-32(25-11-5-2-6-12-25)38-36(37-31)26-15-17-27(18-16-26)39-33-14-8-7-13-28(33)29-19-20-34-30(35(29)39)21-22-40-34;1-3-9-23(10-4-1)33-36-34(24-11-5-2-6-12-24)38-35(37-33)25-15-17-26(18-16-25)39-30-14-8-7-13-27(30)28-19-20-31-29(32(28)39)21-22-40-31;1-2-8-23(9-3-1)36-30-13-7-5-11-28(30)34-33(36)22-14-16-24(17-15-22)35-29-12-6-4-10-25(29)26-18-19-31-27(32(26)35)20-21-37-31;1-2-7-17(8-3-1)21-10-6-12-24(26-21)27-22-11-5-4-9-18(22)19-13-14-23-20(25(19)27)15-16-28-23/h1-23H;1-22H;1-21,33-34H;1-16H |
| InChIKey | KAZNRKVSSIFPEA-UHFFFAOYSA-N |
| XLogP | 33.42 |
| TPSA | 164.89 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 145 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1866.17 |
| LogP ≤ 5 | 33.42 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 16 |