About pentacopper;iron;dodecacyanide
pentacopper;iron;dodecacyanide (PubChem CID 173219764) has the molecular formula C12Cu5Fe2N12-2
and a molecular weight of 741.64 g/mol. Its IUPAC name is pentacopper;iron;dodecacyanide.
Molecular Properties
| Compound Name | pentacopper;iron;dodecacyanide |
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| PubChem CID | 173219764 |
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| Molecular Formula | C12Cu5Fe2N12-2 |
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| Molecular Weight | 741.64 g/mol |
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| Exact Mass | 738.56 |
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| IUPAC Name | pentacopper;iron;dodecacyanide |
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| SMILES | [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Fe].[Fe] |
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| InChI | InChI=1S/12CN.5Cu.2Fe/c12*1-2;;;;;;;/q12*-1;5*+2;; |
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| InChIKey | ASELOIWPBKQWPM-UHFFFAOYSA-N |
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| XLogP | 1.14 |
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| TPSA | 285.48 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 12 |
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| Rotatable Bonds | |
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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 | 741.64 |
| LogP ≤ 5 | 1.14 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of pentacopper;iron;dodecacyanide?
The IUPAC name of pentacopper;iron;dodecacyanide (CID 173219764) is pentacopper;iron;dodecacyanide.
What is the SMILES notation for pentacopper;iron;dodecacyanide?
The canonical SMILES for pentacopper;iron;dodecacyanide is [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Fe].[Fe].
What is the InChIKey of pentacopper;iron;dodecacyanide?
The InChIKey is ASELOIWPBKQWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/12CN.5Cu.2Fe/c12*1-2;;;;;;;/q12*-1;5*+2;;.
What are the key properties of pentacopper;iron;dodecacyanide?
pentacopper;iron;dodecacyanide has a molecular weight of 741.64 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for pentacopper;iron;dodecacyanide is sourced from PubChem (CID 173219764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).