About dizinc;bis(N-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine);tetraacetate
dizinc;bis(N-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine);tetraacetate (PubChem CID 139198537) has the molecular formula C72H60N12O8Zn2
and a molecular weight of 1352.13 g/mol. Its IUPAC name is dizinc;bis(N-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine);tetraacetate.
Molecular Properties
| Compound Name | dizinc;bis(N-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine);tetraacetate |
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| PubChem CID | 139198537 |
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| Molecular Formula | C72H60N12O8Zn2 |
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| Molecular Weight | 1352.13 g/mol |
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| Exact Mass | 1348.32 |
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| IUPAC Name | dizinc;bis(N-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine);tetraacetate |
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| SMILES | CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Zn+2].[Zn+2].c1ccc(-c2cc(-c3ccc(CN(c4ccccn4)c4ccccn4)cc3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3ccc(CN(c4ccccn4)c4ccccn4)cc3)cc(-c3ccccn3)n2)nc1 |
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| InChI | InChI=1S/2C32H24N6.4C2H4O2.2Zn/c2*1-5-17-33-27(9-1)29-21-26(22-30(37-29)28-10-2-6-18-34-28)25-15-13-24(14-16-25)23-38(31-11-3-7-19-35-31)32-12-4-8-20-36-32;4*1-2(3)4;;/h2*1-22H,23H2;4*1H3,(H,3,4);;/q;;;;;;2*+2/p-4 |
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| InChIKey | VSBATOXZUKVJNM-UHFFFAOYSA-J |
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| XLogP | 9.02 |
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| TPSA | 295.90 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 20 |
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| Rotatable Bonds | 14 |
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| Heavy Atoms | 94 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 1352.13 |
| LogP ≤ 5 | 9.02 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
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 dizinc;bis(N-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine);tetraacetate?
The IUPAC name of dizinc;bis(N-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine);tetraacetate (CID 139198537) is dizinc;bis(N-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine);tetraacetate.
What is the SMILES notation for dizinc;bis(N-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine);tetraacetate?
The canonical SMILES for dizinc;bis(N-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine);tetraacetate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Zn+2].[Zn+2].c1ccc(-c2cc(-c3ccc(CN(c4ccccn4)c4ccccn4)cc3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3ccc(CN(c4ccccn4)c4ccccn4)cc3)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of dizinc;bis(N-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine);tetraacetate?
The InChIKey is VSBATOXZUKVJNM-UHFFFAOYSA-J. The full InChI is InChI=1S/2C32H24N6.4C2H4O2.2Zn/c2*1-5-17-33-27(9-1)29-21-26(22-30(37-29)28-10-2-6-18-34-28)25-15-13-24(14-16-25)23-38(31-11-3-7-19-35-31)32-12-4-8-20-36-32;4*1-2(3)4;;/h2*1-22H,23H2;4*1H3,(H,3,4);;/q;;;;;;2*+2/p-4.
What are the key properties of dizinc;bis(N-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine);tetraacetate?
dizinc;bis(N-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine);tetraacetate has a molecular weight of 1352.13 g/mol, XLogP of 9.02, 14 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;bis(N-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine);tetraacetate is sourced from PubChem (CID 139198537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).