About 2-[2-[4-(N-(4-tert-butylphenyl)anilino)-6-[3-phenyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-6-(2-fluoro-4H-pyridin-4-id-3-yl)-N-(4-methylphenyl)-N-phenylpyridin-4-amine;platinum(2+)
2-[2-[4-(N-(4-tert-butylphenyl)anilino)-6-[3-phenyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-6-(2-fluoro-4H-pyridin-4-id-3-yl)-N-(4-methylphenyl)-N-phenylpyridin-4-amine;platinum(2+) (PubChem CID 59372121) has the molecular formula C57H47F4N7Pt
and a molecular weight of 1101.12 g/mol. Its IUPAC name is 2-[2-[4-(N-(4-tert-butylphenyl)anilino)-6-[3-phenyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-6-(2-fluoro-4H-pyridin-4-id-3-yl)-N-(4-methylphenyl)-N-phenylpyridin-4-amine;platinum(2+).
Molecular Properties
| Compound Name | 2-[2-[4-(N-(4-tert-butylphenyl)anilino)-6-[3-phenyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-6-(2-fluoro-4H-pyridin-4-id-3-yl)-N-(4-methylphenyl)-N-phenylpyridin-4-amine;platinum(2+) |
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| PubChem CID | 59372121 |
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| Molecular Formula | C57H47F4N7Pt |
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| Molecular Weight | 1101.12 g/mol |
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| Exact Mass | 1100.35 |
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| IUPAC Name | 2-[2-[4-(N-(4-tert-butylphenyl)anilino)-6-[3-phenyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-6-(2-fluoro-4H-pyridin-4-id-3-yl)-N-(4-methylphenyl)-N-phenylpyridin-4-amine;platinum(2+) |
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| SMILES | Cc1ccc(N(c2ccccc2)c2cc(-c3[c-]ccnc3F)nc(C(C)(C)c3cc(N(c4ccccc4)c4ccc(C(C)(C)C)cc4)cc(-c4[n-]nc(-c5ccccc5)c4C(F)(F)F)n3)c2)cc1.[Pt+2] |
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| InChI | InChI=1S/C57H47F4N7.Pt/c1-37-24-28-42(29-25-37)67(40-19-12-8-13-20-40)44-33-47(46-23-16-32-62-54(46)58)63-49(35-44)56(5,6)50-36-45(68(41-21-14-9-15-22-41)43-30-26-39(27-31-43)55(2,3)4)34-48(64-50)53-51(57(59,60)61)52(65-66-53)38-17-10-7-11-18-38;/h7-22,24-36H,1-6H3;/q-2;+2 |
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| InChIKey | LSSOQCULDNVQMA-UHFFFAOYSA-N |
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| XLogP | 15.05 |
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| TPSA | 72.14 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 69 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1101.12 |
| LogP ≤ 5 | 15.05 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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Analyze 2-[2-[4-(N-(4-tert-butylphenyl)anilino)-6-[3-phenyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-6-(2-fluoro-4H-pyridin-4-id-3-yl)-N-(4-methylphenyl)-N-phenylpyridin-4-amine;platinum(2+) with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-[2-[4-(N-(4-tert-butylphenyl)anilino)-6-[3-phenyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-6-(2-fluoro-4H-pyridin-4-id-3-yl)-N-(4-methylphenyl)-N-phenylpyridin-4-amine;platinum(2+)?
The IUPAC name of 2-[2-[4-(N-(4-tert-butylphenyl)anilino)-6-[3-phenyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-6-(2-fluoro-4H-pyridin-4-id-3-yl)-N-(4-methylphenyl)-N-phenylpyridin-4-amine;platinum(2+) (CID 59372121) is 2-[2-[4-(N-(4-tert-butylphenyl)anilino)-6-[3-phenyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-6-(2-fluoro-4H-pyridin-4-id-3-yl)-N-(4-methylphenyl)-N-phenylpyridin-4-amine;platinum(2+).
What is the SMILES notation for 2-[2-[4-(N-(4-tert-butylphenyl)anilino)-6-[3-phenyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-6-(2-fluoro-4H-pyridin-4-id-3-yl)-N-(4-methylphenyl)-N-phenylpyridin-4-amine;platinum(2+)?
The canonical SMILES for 2-[2-[4-(N-(4-tert-butylphenyl)anilino)-6-[3-phenyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-6-(2-fluoro-4H-pyridin-4-id-3-yl)-N-(4-methylphenyl)-N-phenylpyridin-4-amine;platinum(2+) is Cc1ccc(N(c2ccccc2)c2cc(-c3[c-]ccnc3F)nc(C(C)(C)c3cc(N(c4ccccc4)c4ccc(C(C)(C)C)cc4)cc(-c4[n-]nc(-c5ccccc5)c4C(F)(F)F)n3)c2)cc1.[Pt+2].
What is the InChIKey of 2-[2-[4-(N-(4-tert-butylphenyl)anilino)-6-[3-phenyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-6-(2-fluoro-4H-pyridin-4-id-3-yl)-N-(4-methylphenyl)-N-phenylpyridin-4-amine;platinum(2+)?
The InChIKey is LSSOQCULDNVQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H47F4N7.Pt/c1-37-24-28-42(29-25-37)67(40-19-12-8-13-20-40)44-33-47(46-23-16-32-62-54(46)58)63-49(35-44)56(5,6)50-36-45(68(41-21-14-9-15-22-41)43-30-26-39(27-31-43)55(2,3)4)34-48(64-50)53-51(57(59,60)61)52(65-66-53)38-17-10-7-11-18-38;/h7-22,24-36H,1-6H3;/q-2;+2.
What are the key properties of 2-[2-[4-(N-(4-tert-butylphenyl)anilino)-6-[3-phenyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-6-(2-fluoro-4H-pyridin-4-id-3-yl)-N-(4-methylphenyl)-N-phenylpyridin-4-amine;platinum(2+)?
2-[2-[4-(N-(4-tert-butylphenyl)anilino)-6-[3-phenyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-6-(2-fluoro-4H-pyridin-4-id-3-yl)-N-(4-methylphenyl)-N-phenylpyridin-4-amine;platinum(2+) has a molecular weight of 1101.12 g/mol, XLogP of 15.05, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(N-(4-tert-butylphenyl)anilino)-6-[3-phenyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-6-(2-fluoro-4H-pyridin-4-id-3-yl)-N-(4-methylphenyl)-N-phenylpyridin-4-amine;platinum(2+) is sourced from PubChem (CID 59372121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).