About 6-(3H-1-benzofuran-3-id-2-yl)-N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyridin-2-amine;platinum(2+)
6-(3H-1-benzofuran-3-id-2-yl)-N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyridin-2-amine;platinum(2+) (PubChem CID 58704096) has the molecular formula C28H18N4OPt
and a molecular weight of 621.56 g/mol. Its IUPAC name is 6-(3H-1-benzofuran-3-id-2-yl)-N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyridin-2-amine;platinum(2+).
Molecular Properties
| Compound Name | 6-(3H-1-benzofuran-3-id-2-yl)-N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyridin-2-amine;platinum(2+) |
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| PubChem CID | 58704096 |
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| Molecular Formula | C28H18N4OPt |
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| Molecular Weight | 621.56 g/mol |
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| Exact Mass | 621.11 |
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| IUPAC Name | 6-(3H-1-benzofuran-3-id-2-yl)-N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyridin-2-amine;platinum(2+) |
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| SMILES | [Pt+2].[c-]1c(N(c2ccccc2)c2cccc(-c3[c-]c4ccccc4o3)n2)cccc1-n1cccn1 |
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| InChI | InChI=1S/C28H18N4O.Pt/c1-2-10-22(11-3-1)32(24-13-6-12-23(20-24)31-18-8-17-29-31)28-16-7-14-25(30-28)27-19-21-9-4-5-15-26(21)33-27;/h1-18H;/q-2;+2 |
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| InChIKey | MFYVUVFQTSRTHS-UHFFFAOYSA-N |
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| XLogP | 6.75 |
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| TPSA | 47.09 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 621.56 |
| LogP ≤ 5 | 6.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 6-(3H-1-benzofuran-3-id-2-yl)-N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyridin-2-amine;platinum(2+)?
The IUPAC name of 6-(3H-1-benzofuran-3-id-2-yl)-N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyridin-2-amine;platinum(2+) (CID 58704096) is 6-(3H-1-benzofuran-3-id-2-yl)-N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyridin-2-amine;platinum(2+).
What is the SMILES notation for 6-(3H-1-benzofuran-3-id-2-yl)-N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyridin-2-amine;platinum(2+)?
The canonical SMILES for 6-(3H-1-benzofuran-3-id-2-yl)-N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyridin-2-amine;platinum(2+) is [Pt+2].[c-]1c(N(c2ccccc2)c2cccc(-c3[c-]c4ccccc4o3)n2)cccc1-n1cccn1.
What is the InChIKey of 6-(3H-1-benzofuran-3-id-2-yl)-N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyridin-2-amine;platinum(2+)?
The InChIKey is MFYVUVFQTSRTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4O.Pt/c1-2-10-22(11-3-1)32(24-13-6-12-23(20-24)31-18-8-17-29-31)28-16-7-14-25(30-28)27-19-21-9-4-5-15-26(21)33-27;/h1-18H;/q-2;+2.
What are the key properties of 6-(3H-1-benzofuran-3-id-2-yl)-N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyridin-2-amine;platinum(2+)?
6-(3H-1-benzofuran-3-id-2-yl)-N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyridin-2-amine;platinum(2+) has a molecular weight of 621.56 g/mol, XLogP of 6.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3H-1-benzofuran-3-id-2-yl)-N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyridin-2-amine;platinum(2+) is sourced from PubChem (CID 58704096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).