About bis(1-benzylpyridin-1-ium);tetrachlorocopper(2-)
bis(1-benzylpyridin-1-ium);tetrachlorocopper(2-) (PubChem CID 171716508) has the molecular formula C24H24Cl4CuN2
and a molecular weight of 545.83 g/mol. Its IUPAC name is bis(1-benzylpyridin-1-ium);tetrachlorocopper(2-).
Molecular Properties
| Compound Name | bis(1-benzylpyridin-1-ium);tetrachlorocopper(2-) |
|---|
| PubChem CID | 171716508 |
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| Molecular Formula | C24H24Cl4CuN2 |
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| Molecular Weight | 545.83 g/mol |
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| Exact Mass | 543.00 |
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| IUPAC Name | bis(1-benzylpyridin-1-ium);tetrachlorocopper(2-) |
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| SMILES | Cl[Cu-2](Cl)(Cl)Cl.c1ccc(C[n+]2ccccc2)cc1.c1ccc(C[n+]2ccccc2)cc1 |
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| InChI | InChI=1S/2C12H12N.4ClH.Cu/c2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;;;;/h2*1-10H,11H2;4*1H;/q2*+1;;;;;+2/p-4 |
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| InChIKey | IAYZICNHVFHHID-UHFFFAOYSA-J |
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| XLogP | 6.80 |
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| TPSA | 7.76 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 31 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 545.83 |
| LogP ≤ 5 | 6.80 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of bis(1-benzylpyridin-1-ium);tetrachlorocopper(2-)?
The IUPAC name of bis(1-benzylpyridin-1-ium);tetrachlorocopper(2-) (CID 171716508) is bis(1-benzylpyridin-1-ium);tetrachlorocopper(2-).
What is the SMILES notation for bis(1-benzylpyridin-1-ium);tetrachlorocopper(2-)?
The canonical SMILES for bis(1-benzylpyridin-1-ium);tetrachlorocopper(2-) is Cl[Cu-2](Cl)(Cl)Cl.c1ccc(C[n+]2ccccc2)cc1.c1ccc(C[n+]2ccccc2)cc1.
What is the InChIKey of bis(1-benzylpyridin-1-ium);tetrachlorocopper(2-)?
The InChIKey is IAYZICNHVFHHID-UHFFFAOYSA-J. The full InChI is InChI=1S/2C12H12N.4ClH.Cu/c2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;;;;/h2*1-10H,11H2;4*1H;/q2*+1;;;;;+2/p-4.
What are the key properties of bis(1-benzylpyridin-1-ium);tetrachlorocopper(2-)?
bis(1-benzylpyridin-1-ium);tetrachlorocopper(2-) has a molecular weight of 545.83 g/mol, XLogP of 6.80, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-benzylpyridin-1-ium);tetrachlorocopper(2-) is sourced from PubChem (CID 171716508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).