About 2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)-9-(3-naphthalen-2-ylphenyl)anthracene
2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)-9-(3-naphthalen-2-ylphenyl)anthracene (PubChem CID 58323030) has the molecular formula C56H36
and a molecular weight of 708.90 g/mol. Its IUPAC name is 2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)-9-(3-naphthalen-2-ylphenyl)anthracene.
Molecular Properties
| Compound Name | 2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)-9-(3-naphthalen-2-ylphenyl)anthracene |
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| PubChem CID | 58323030 |
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| Molecular Formula | C56H36 |
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| Molecular Weight | 708.90 g/mol |
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| Exact Mass | 708.28 |
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| IUPAC Name | 2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)-9-(3-naphthalen-2-ylphenyl)anthracene |
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| SMILES | c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cccc(-c4cccc5ccccc45)c3)c3ccc(-c4ccc5ccccc5c4)cc23)c1 |
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| InChI | InChI=1S/C56H36/c1-3-15-40-32-43(28-26-37(40)12-1)42-18-9-20-47(34-42)56-52-24-8-7-23-51(52)55(48-21-10-19-46(35-48)50-25-11-17-39-14-5-6-22-49(39)50)53-31-30-45(36-54(53)56)44-29-27-38-13-2-4-16-41(38)33-44/h1-36H |
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| InChIKey | PJEOOWUIMNEGAV-UHFFFAOYSA-N |
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| XLogP | 15.79 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 56 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 708.90 |
| LogP ≤ 5 | 15.79 |
| 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 2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)-9-(3-naphthalen-2-ylphenyl)anthracene?
The IUPAC name of 2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)-9-(3-naphthalen-2-ylphenyl)anthracene (CID 58323030) is 2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)-9-(3-naphthalen-2-ylphenyl)anthracene.
What is the SMILES notation for 2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)-9-(3-naphthalen-2-ylphenyl)anthracene?
The canonical SMILES for 2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)-9-(3-naphthalen-2-ylphenyl)anthracene is c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cccc(-c4cccc5ccccc45)c3)c3ccc(-c4ccc5ccccc5c4)cc23)c1.
What is the InChIKey of 2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)-9-(3-naphthalen-2-ylphenyl)anthracene?
The InChIKey is PJEOOWUIMNEGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36/c1-3-15-40-32-43(28-26-37(40)12-1)42-18-9-20-47(34-42)56-52-24-8-7-23-51(52)55(48-21-10-19-46(35-48)50-25-11-17-39-14-5-6-22-49(39)50)53-31-30-45(36-54(53)56)44-29-27-38-13-2-4-16-41(38)33-44/h1-36H.
What are the key properties of 2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)-9-(3-naphthalen-2-ylphenyl)anthracene?
2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)-9-(3-naphthalen-2-ylphenyl)anthracene has a molecular weight of 708.90 g/mol, XLogP of 15.79, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)-9-(3-naphthalen-2-ylphenyl)anthracene is sourced from PubChem (CID 58323030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).