About tetrakis(acetonitrile);tetrakis(cobalt(3+));tetrakis(N,N-dimethylpyridin-4-amine);tetrakis(oxygen(2-));tetraacetate
tetrakis(acetonitrile);tetrakis(cobalt(3+));tetrakis(N,N-dimethylpyridin-4-amine);tetrakis(oxygen(2-));tetraacetate (PubChem CID 139049868) has the molecular formula C44H64Co4N12O12
and a molecular weight of 1188.80 g/mol. Its IUPAC name is tetrakis(acetonitrile);tetrakis(cobalt(3+));tetrakis(N,N-dimethylpyridin-4-amine);tetrakis(oxygen(2-));tetraacetate.
Molecular Properties
| Compound Name | tetrakis(acetonitrile);tetrakis(cobalt(3+));tetrakis(N,N-dimethylpyridin-4-amine);tetrakis(oxygen(2-));tetraacetate |
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| PubChem CID | 139049868 |
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| Molecular Formula | C44H64Co4N12O12 |
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| Molecular Weight | 1188.80 g/mol |
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| Exact Mass | 1188.21 |
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| IUPAC Name | tetrakis(acetonitrile);tetrakis(cobalt(3+));tetrakis(N,N-dimethylpyridin-4-amine);tetrakis(oxygen(2-));tetraacetate |
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| SMILES | CC#N.CC#N.CC#N.CC#N.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CN(C)c1ccncc1.CN(C)c1ccncc1.CN(C)c1ccncc1.CN(C)c1ccncc1.[Co+3].[Co+3].[Co+3].[Co+3].[O-2].[O-2].[O-2].[O-2] |
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| InChI | InChI=1S/4C7H10N2.4C2H3N.4C2H4O2.4Co.4O/c4*1-9(2)7-3-5-8-6-4-7;4*1-2-3;4*1-2(3)4;;;;;;;;/h4*3-6H,1-2H3;4*1H3;4*1H3,(H,3,4);;;;;;;;/q;;;;;;;;;;;;4*+3;4*-2/p-4 |
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| InChIKey | KSSNLWWYMZGDLL-UHFFFAOYSA-J |
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| XLogP | 1.25 |
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| TPSA | 434.20 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 20 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 72 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 1188.80 |
| LogP ≤ 5 | 1.25 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
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Frequently Asked Questions
What is the IUPAC name of tetrakis(acetonitrile);tetrakis(cobalt(3+));tetrakis(N,N-dimethylpyridin-4-amine);tetrakis(oxygen(2-));tetraacetate?
The IUPAC name of tetrakis(acetonitrile);tetrakis(cobalt(3+));tetrakis(N,N-dimethylpyridin-4-amine);tetrakis(oxygen(2-));tetraacetate (CID 139049868) is tetrakis(acetonitrile);tetrakis(cobalt(3+));tetrakis(N,N-dimethylpyridin-4-amine);tetrakis(oxygen(2-));tetraacetate.
What is the SMILES notation for tetrakis(acetonitrile);tetrakis(cobalt(3+));tetrakis(N,N-dimethylpyridin-4-amine);tetrakis(oxygen(2-));tetraacetate?
The canonical SMILES for tetrakis(acetonitrile);tetrakis(cobalt(3+));tetrakis(N,N-dimethylpyridin-4-amine);tetrakis(oxygen(2-));tetraacetate is CC#N.CC#N.CC#N.CC#N.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CN(C)c1ccncc1.CN(C)c1ccncc1.CN(C)c1ccncc1.CN(C)c1ccncc1.[Co+3].[Co+3].[Co+3].[Co+3].[O-2].[O-2].[O-2].[O-2].
What is the InChIKey of tetrakis(acetonitrile);tetrakis(cobalt(3+));tetrakis(N,N-dimethylpyridin-4-amine);tetrakis(oxygen(2-));tetraacetate?
The InChIKey is KSSNLWWYMZGDLL-UHFFFAOYSA-J. The full InChI is InChI=1S/4C7H10N2.4C2H3N.4C2H4O2.4Co.4O/c4*1-9(2)7-3-5-8-6-4-7;4*1-2-3;4*1-2(3)4;;;;;;;;/h4*3-6H,1-2H3;4*1H3;4*1H3,(H,3,4);;;;;;;;/q;;;;;;;;;;;;4*+3;4*-2/p-4.
What are the key properties of tetrakis(acetonitrile);tetrakis(cobalt(3+));tetrakis(N,N-dimethylpyridin-4-amine);tetrakis(oxygen(2-));tetraacetate?
tetrakis(acetonitrile);tetrakis(cobalt(3+));tetrakis(N,N-dimethylpyridin-4-amine);tetrakis(oxygen(2-));tetraacetate has a molecular weight of 1188.80 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(acetonitrile);tetrakis(cobalt(3+));tetrakis(N,N-dimethylpyridin-4-amine);tetrakis(oxygen(2-));tetraacetate is sourced from PubChem (CID 139049868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).