C119H75N13OS — CID 157287521
6-(4-dibenzofuran-4-ylphenyl)-3-pyridin-2-yl-2-pyridin-4-ylimidazo[4,5-c]carbazole;6-(4-dibenzothiophen-4-ylphenyl)-3-pyridin-2-yl-2-pyridin-4-ylimidazo[4,5-c]carbazole;2,3,5,6-tetraphenylimidazo[4,5-c]carbazole (PubChem CID 157287521) has the molecular formula C119H75N13OS and a molecular weight of 1735.07 g/mol. Its IUPAC name is 6-(4-dibenzofuran-4-ylphenyl)-3-pyridin-2-yl-2-pyridin-4-ylimidazo[4,5-c]carbazole;6-(4-dibenzothiophen-4-ylphenyl)-3-pyridin-2-yl-2-pyridin-4-ylimidazo[4,5-c]carbazole;2,3,5,6-tetraphenylimidazo[4,5-c]carbazole.
| Compound Name | 6-(4-dibenzofuran-4-ylphenyl)-3-pyridin-2-yl-2-pyridin-4-ylimidazo[4,5-c]carbazole;6-(4-dibenzothiophen-4-ylphenyl)-3-pyridin-2-yl-2-pyridin-4-ylimidazo[4,5-c]carbazole;2,3,5,6-tetraphenylimidazo[4,5-c]carbazole |
|---|---|
| PubChem CID | 157287521 |
| Molecular Formula | C119H75N13OS |
| Molecular Weight | 1735.07 g/mol |
| Exact Mass | 1733.59 |
| IUPAC Name | 6-(4-dibenzofuran-4-ylphenyl)-3-pyridin-2-yl-2-pyridin-4-ylimidazo[4,5-c]carbazole;6-(4-dibenzothiophen-4-ylphenyl)-3-pyridin-2-yl-2-pyridin-4-ylimidazo[4,5-c]carbazole;2,3,5,6-tetraphenylimidazo[4,5-c]carbazole |
| SMILES | c1ccc(-c2cc3c(nc(-c4ccccc4)n3-c3ccccc3)c3c4ccccc4n(-c4ccccc4)c23)cc1.c1ccc(-n2c(-c3ccncc3)nc3c4c5ccccc5n(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)c4ccc32)nc1.c1ccc(-n2c(-c3ccncc3)nc3c4c5ccccc5n(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)c4ccc32)nc1 |
| InChI | InChI=1S/C41H25N5O.C41H25N5S.C37H25N3/c2*1-3-12-33-32(9-1)38-34(19-20-35-39(38)44-41(27-21-24-42-25-22-27)46(35)37-14-5-6-23-43-37)45(33)28-17-15-26(16-18-28)29-10-7-11-31-30-8-2-4-13-36(30)47-40(29)31;1-5-15-26(16-6-1)31-25-33-35(38-37(27-17-7-2-8-18-27)40(33)29-21-11-4-12-22-29)34-30-23-13-14-24-32(30)39(36(31)34)28-19-9-3-10-20-28/h2*1-25H;1-25H |
| InChIKey | BAKHCSZCRNXSGD-UHFFFAOYSA-N |
| XLogP | 30.22 |
| TPSA | 132.95 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 134 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1735.07 |
| LogP ≤ 5 | 30.22 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |