About 9-ethyl-10-naphthalen-2-ylanthracene
9-ethyl-10-naphthalen-2-ylanthracene (PubChem CID 143444762) has the molecular formula C26H20
and a molecular weight of 332.45 g/mol. Its IUPAC name is 9-ethyl-10-naphthalen-2-ylanthracene.
Molecular Properties
| Compound Name | 9-ethyl-10-naphthalen-2-ylanthracene |
| PubChem CID | 143444762 |
| Molecular Formula | C26H20 |
| Molecular Weight | 332.45 g/mol |
| Exact Mass | 332.16 |
| IUPAC Name | 9-ethyl-10-naphthalen-2-ylanthracene |
| SMILES | CCc1c2ccccc2c(-c2ccc3ccccc3c2)c2ccccc12 |
| InChI | InChI=1S/C26H20/c1-2-21-22-11-5-7-13-24(22)26(25-14-8-6-12-23(21)25)20-16-15-18-9-3-4-10-19(18)17-20/h3-17H,2H2,1H3 |
| InChIKey | ZXBGFLGDCIBUDW-UHFFFAOYSA-N |
| XLogP | 7.38 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 2 |
| Heavy Atoms | 26 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 332.45 |
| LogP ≤ 5 | 7.38 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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 9-ethyl-10-naphthalen-2-ylanthracene?
The IUPAC name of 9-ethyl-10-naphthalen-2-ylanthracene (CID 143444762) is 9-ethyl-10-naphthalen-2-ylanthracene.
What is the SMILES notation for 9-ethyl-10-naphthalen-2-ylanthracene?
The canonical SMILES for 9-ethyl-10-naphthalen-2-ylanthracene is CCc1c2ccccc2c(-c2ccc3ccccc3c2)c2ccccc12.
What is the InChIKey of 9-ethyl-10-naphthalen-2-ylanthracene?
The InChIKey is ZXBGFLGDCIBUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20/c1-2-21-22-11-5-7-13-24(22)26(25-14-8-6-12-23(21)25)20-16-15-18-9-3-4-10-19(18)17-20/h3-17H,2H2,1H3.
What are the key properties of 9-ethyl-10-naphthalen-2-ylanthracene?
9-ethyl-10-naphthalen-2-ylanthracene has a molecular weight of 332.45 g/mol, XLogP of 7.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-10-naphthalen-2-ylanthracene is sourced from PubChem (CID 143444762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).