About 2-naphthalen-2-yl-4-phenylbenzaldehyde
2-naphthalen-2-yl-4-phenylbenzaldehyde (PubChem CID 152589859) has the molecular formula C23H16O
and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-phenylbenzaldehyde.
Molecular Properties
| Compound Name | 2-naphthalen-2-yl-4-phenylbenzaldehyde |
| PubChem CID | 152589859 |
| Molecular Formula | C23H16O |
| Molecular Weight | 308.38 g/mol |
| Exact Mass | 308.12 |
| IUPAC Name | 2-naphthalen-2-yl-4-phenylbenzaldehyde |
| SMILES | O=Cc1ccc(-c2ccccc2)cc1-c1ccc2ccccc2c1 |
| InChI | InChI=1S/C23H16O/c24-16-22-13-11-20(17-6-2-1-3-7-17)15-23(22)21-12-10-18-8-4-5-9-19(18)14-21/h1-16H |
| InChIKey | YVGBNHFLQLTEDZ-UHFFFAOYSA-N |
| XLogP | 5.99 |
| TPSA | 17.07 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 24 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 308.38 |
| LogP ≤ 5 | 5.99 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-naphthalen-2-yl-4-phenylbenzaldehyde?
The IUPAC name of 2-naphthalen-2-yl-4-phenylbenzaldehyde (CID 152589859) is 2-naphthalen-2-yl-4-phenylbenzaldehyde.
What is the SMILES notation for 2-naphthalen-2-yl-4-phenylbenzaldehyde?
The canonical SMILES for 2-naphthalen-2-yl-4-phenylbenzaldehyde is O=Cc1ccc(-c2ccccc2)cc1-c1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-4-phenylbenzaldehyde?
The InChIKey is YVGBNHFLQLTEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O/c24-16-22-13-11-20(17-6-2-1-3-7-17)15-23(22)21-12-10-18-8-4-5-9-19(18)14-21/h1-16H.
What are the key properties of 2-naphthalen-2-yl-4-phenylbenzaldehyde?
2-naphthalen-2-yl-4-phenylbenzaldehyde has a molecular weight of 308.38 g/mol, XLogP of 5.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-phenylbenzaldehyde is sourced from PubChem (CID 152589859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).