C48H32N2 — CID 58273881
N-(4-carbazol-9-ylphenyl)-10-naphthalen-2-yl-N-phenylanthracen-9-amine (PubChem CID 58273881) has the molecular formula C48H32N2 and a molecular weight of 636.80 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-10-naphthalen-2-yl-N-phenylanthracen-9-amine.
| Compound Name | N-(4-carbazol-9-ylphenyl)-10-naphthalen-2-yl-N-phenylanthracen-9-amine |
|---|---|
| PubChem CID | 58273881 |
| Molecular Formula | C48H32N2 |
| Molecular Weight | 636.80 g/mol |
| Exact Mass | 636.26 |
| IUPAC Name | N-(4-carbazol-9-ylphenyl)-10-naphthalen-2-yl-N-phenylanthracen-9-amine |
| SMILES | c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1 |
| InChI | InChI=1S/C48H32N2/c1-2-16-36(17-3-1)49(37-28-30-38(31-29-37)50-45-24-12-10-18-39(45)40-19-11-13-25-46(40)50)48-43-22-8-6-20-41(43)47(42-21-7-9-23-44(42)48)35-27-26-33-14-4-5-15-34(33)32-35/h1-32H |
| InChIKey | RDUURNXCBHASPL-UHFFFAOYSA-N |
| XLogP | 13.38 |
| TPSA | 8.17 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 50 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 636.80 |
| LogP ≤ 5 | 13.38 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
|---|