C45H28N2O — CID 163955120
6-dibenzofuran-2-yl-2-naphthalen-2-yl-9-(3-phenyl-2-pyridinyl)carbazole (PubChem CID 163955120) has the molecular formula C45H28N2O and a molecular weight of 612.73 g/mol. Its IUPAC name is 6-dibenzofuran-2-yl-2-naphthalen-2-yl-9-(3-phenyl-2-pyridinyl)carbazole.
| Compound Name | 6-dibenzofuran-2-yl-2-naphthalen-2-yl-9-(3-phenyl-2-pyridinyl)carbazole |
|---|---|
| PubChem CID | 163955120 |
| Molecular Formula | C45H28N2O |
| Molecular Weight | 612.73 g/mol |
| Exact Mass | 612.22 |
| IUPAC Name | 6-dibenzofuran-2-yl-2-naphthalen-2-yl-9-(3-phenyl-2-pyridinyl)carbazole |
| SMILES | c1ccc(-c2cccnc2-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3ccc(-c4ccc5ccccc5c4)cc32)cc1 |
| InChI | InChI=1S/C45H28N2O/c1-2-10-30(11-3-1)36-14-8-24-46-45(36)47-41-22-19-33(34-20-23-44-40(27-34)38-13-6-7-15-43(38)48-44)26-39(41)37-21-18-35(28-42(37)47)32-17-16-29-9-4-5-12-31(29)25-32/h1-28H |
| InChIKey | SCRMZCKCRYTERW-UHFFFAOYSA-N |
| XLogP | 12.23 |
| TPSA | 30.96 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 48 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 612.73 |
| LogP ≤ 5 | 12.23 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |