About 1-naphthalen-2-ylacridine
1-naphthalen-2-ylacridine (PubChem CID 91364116) has the molecular formula C23H15N
and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-naphthalen-2-ylacridine.
Molecular Properties
| Compound Name | 1-naphthalen-2-ylacridine |
| PubChem CID | 91364116 |
| Molecular Formula | C23H15N |
| Molecular Weight | 305.38 g/mol |
| Exact Mass | 305.12 |
| IUPAC Name | 1-naphthalen-2-ylacridine |
| SMILES | c1ccc2cc(-c3cccc4nc5ccccc5cc34)ccc2c1 |
| InChI | InChI=1S/C23H15N/c1-2-7-17-14-18(13-12-16(17)6-1)20-9-5-11-23-21(20)15-19-8-3-4-10-22(19)24-23/h1-15H |
| InChIKey | AXWZPDJXTXUOLC-UHFFFAOYSA-N |
| XLogP | 6.21 |
| TPSA | 12.89 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 24 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 305.38 |
| LogP ≤ 5 | 6.21 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-naphthalen-2-ylacridine?
The IUPAC name of 1-naphthalen-2-ylacridine (CID 91364116) is 1-naphthalen-2-ylacridine.
What is the SMILES notation for 1-naphthalen-2-ylacridine?
The canonical SMILES for 1-naphthalen-2-ylacridine is c1ccc2cc(-c3cccc4nc5ccccc5cc34)ccc2c1.
What is the InChIKey of 1-naphthalen-2-ylacridine?
The InChIKey is AXWZPDJXTXUOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N/c1-2-7-17-14-18(13-12-16(17)6-1)20-9-5-11-23-21(20)15-19-8-3-4-10-22(19)24-23/h1-15H.
What are the key properties of 1-naphthalen-2-ylacridine?
1-naphthalen-2-ylacridine has a molecular weight of 305.38 g/mol, XLogP of 6.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylacridine is sourced from PubChem (CID 91364116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).