HuagongsheHuagongshe Chemistry Print Report · For research reference only
Bis(4-(pyridin-4-yl)phenyl)methanone
bis(4-(pyridin-4-yl)phenyl)methanone · Methanone, bis[4-(4-pyridinyl)phenyl]-
Identifiers & Physical Properties
| CAS No. | 1609627-99-7 |
|---|---|
| Molecular formula | C23H16N2O |
| Average molar mass | 336.4 g/mol |
| SMILES | O=C(c1ccc(-c2ccncc2)cc1)c1ccc(-c2ccncc2)cc1 |
| InChIKey | KEYIVDQFAOTNFL-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 4.4 |
|---|---|
| Topological polar surface area | 42.9 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 4 |
| Heavy atoms | 26 |
| Formal charge | 0 |
| Complexity | 397 |
| Boiling point | 538.4±45.0 °C(Predicted) |
| Density | 1.182±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 5.07±0.10(Predicted) |