C46H30 — CID 144568902
9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene (PubChem CID 144568902) has the molecular formula C46H30 and a molecular weight of 582.75 g/mol. Its IUPAC name is 9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene.
| Compound Name | 9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene |
|---|---|
| PubChem CID | 144568902 |
| Molecular Formula | C46H30 |
| Molecular Weight | 582.75 g/mol |
| Exact Mass | 582.23 |
| IUPAC Name | 9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene |
| SMILES | c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccccc3-c3ccc4ccccc4c3)c3ccccc23)c1 |
| InChI | InChI=1S/C46H30/c1-3-14-33-28-36(26-24-31(33)12-1)35-16-11-17-38(30-35)45-41-20-7-9-22-43(41)46(44-23-10-8-21-42(44)45)40-19-6-5-18-39(40)37-27-25-32-13-2-4-15-34(32)29-37/h1-30H |
| InChIKey | BKRKQYOLYLMMQH-UHFFFAOYSA-N |
| XLogP | 12.97 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 4 |
| Heavy Atoms | 46 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 582.75 |
| LogP ≤ 5 | 12.97 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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