About iron(3+);tris(2-pyridin-2-ylpyridine);triperchlorate
iron(3+);tris(2-pyridin-2-ylpyridine);triperchlorate (PubChem CID 14342153) has the molecular formula C30H24Cl3FeN6O12
and a molecular weight of 822.76 g/mol. Its IUPAC name is iron(3+);tris(2-pyridin-2-ylpyridine);triperchlorate.
Molecular Properties
| Compound Name | iron(3+);tris(2-pyridin-2-ylpyridine);triperchlorate |
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| PubChem CID | 14342153 |
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| Molecular Formula | C30H24Cl3FeN6O12 |
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| Molecular Weight | 822.76 g/mol |
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| Exact Mass | 820.99 |
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| IUPAC Name | iron(3+);tris(2-pyridin-2-ylpyridine);triperchlorate |
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| SMILES | [Fe+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1 |
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| InChI | InChI=1S/3C10H8N2.3ClHO4.Fe/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*2-1(3,4)5;/h3*1-8H;3*(H,2,3,4,5);/q;;;;;;+3/p-3 |
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| InChIKey | KFKGCTZJQVBSBZ-UHFFFAOYSA-K |
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| XLogP | -7.84 |
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| TPSA | 354.06 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 18 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 52 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 822.76 |
| LogP ≤ 5 | -7.84 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of iron(3+);tris(2-pyridin-2-ylpyridine);triperchlorate?
The IUPAC name of iron(3+);tris(2-pyridin-2-ylpyridine);triperchlorate (CID 14342153) is iron(3+);tris(2-pyridin-2-ylpyridine);triperchlorate.
What is the SMILES notation for iron(3+);tris(2-pyridin-2-ylpyridine);triperchlorate?
The canonical SMILES for iron(3+);tris(2-pyridin-2-ylpyridine);triperchlorate is [Fe+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of iron(3+);tris(2-pyridin-2-ylpyridine);triperchlorate?
The InChIKey is KFKGCTZJQVBSBZ-UHFFFAOYSA-K. The full InChI is InChI=1S/3C10H8N2.3ClHO4.Fe/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*2-1(3,4)5;/h3*1-8H;3*(H,2,3,4,5);/q;;;;;;+3/p-3.
What are the key properties of iron(3+);tris(2-pyridin-2-ylpyridine);triperchlorate?
iron(3+);tris(2-pyridin-2-ylpyridine);triperchlorate has a molecular weight of 822.76 g/mol, XLogP of -7.84, 3 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for iron(3+);tris(2-pyridin-2-ylpyridine);triperchlorate is sourced from PubChem (CID 14342153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).