About 3-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine
3-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine (PubChem CID 88552035) has the molecular formula C46H32N2
and a molecular weight of 612.78 g/mol. Its IUPAC name is 3-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine.
Molecular Properties
| Compound Name | 3-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine |
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| PubChem CID | 88552035 |
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| Molecular Formula | C46H32N2 |
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| Molecular Weight | 612.78 g/mol |
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| Exact Mass | 612.26 |
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| IUPAC Name | 3-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine |
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| SMILES | CCc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cccnc5-c5ccccn5)c5ccccc45)c4ccccc34)ccc2c1 |
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| InChI | InChI=1S/C46H32N2/c1-2-30-20-21-32-29-33(23-22-31(32)28-30)44-37-14-5-7-16-39(37)45(40-17-8-6-15-38(40)44)41-25-24-36(34-12-3-4-13-35(34)41)42-18-11-27-48-46(42)43-19-9-10-26-47-43/h3-29H,2H2,1H3 |
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| InChIKey | HGRWWBZMNCFWAJ-UHFFFAOYSA-N |
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| XLogP | 12.32 |
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| TPSA | 25.78 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 48 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 612.78 |
| LogP ≤ 5 | 12.32 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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 3-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine?
The IUPAC name of 3-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine (CID 88552035) is 3-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine.
What is the SMILES notation for 3-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine?
The canonical SMILES for 3-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine is CCc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cccnc5-c5ccccn5)c5ccccc45)c4ccccc34)ccc2c1.
What is the InChIKey of 3-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine?
The InChIKey is HGRWWBZMNCFWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2/c1-2-30-20-21-32-29-33(23-22-31(32)28-30)44-37-14-5-7-16-39(37)45(40-17-8-6-15-38(40)44)41-25-24-36(34-12-3-4-13-35(34)41)42-18-11-27-48-46(42)43-19-9-10-26-47-43/h3-29H,2H2,1H3.
What are the key properties of 3-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine?
3-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine has a molecular weight of 612.78 g/mol, XLogP of 12.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine is sourced from PubChem (CID 88552035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).