About 4-(4-tert-butyl-2-pyridinyl)-2-[[5-(4-tert-butyl-2-pyridinyl)-6H-quinolin-6-id-7-yl]oxy]-3H-quinolin-3-ide;platinum(2+)
4-(4-tert-butyl-2-pyridinyl)-2-[[5-(4-tert-butyl-2-pyridinyl)-6H-quinolin-6-id-7-yl]oxy]-3H-quinolin-3-ide;platinum(2+) (PubChem CID 153428739) has the molecular formula C36H32N4OPt
and a molecular weight of 731.76 g/mol. Its IUPAC name is 4-(4-tert-butyl-2-pyridinyl)-2-[[5-(4-tert-butyl-2-pyridinyl)-6H-quinolin-6-id-7-yl]oxy]-3H-quinolin-3-ide;platinum(2+).
Molecular Properties
| Compound Name | 4-(4-tert-butyl-2-pyridinyl)-2-[[5-(4-tert-butyl-2-pyridinyl)-6H-quinolin-6-id-7-yl]oxy]-3H-quinolin-3-ide;platinum(2+) |
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| PubChem CID | 153428739 |
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| Molecular Formula | C36H32N4OPt |
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| Molecular Weight | 731.76 g/mol |
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| Exact Mass | 731.22 |
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| IUPAC Name | 4-(4-tert-butyl-2-pyridinyl)-2-[[5-(4-tert-butyl-2-pyridinyl)-6H-quinolin-6-id-7-yl]oxy]-3H-quinolin-3-ide;platinum(2+) |
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| SMILES | CC(C)(C)c1ccnc(-c2[c-]c(Oc3[c-]c(-c4cc(C(C)(C)C)ccn4)c4ccccc4n3)cc3ncccc23)c1.[Pt+2] |
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| InChI | InChI=1S/C36H32N4O.Pt/c1-35(2,3)23-13-16-38-31(18-23)28-20-25(21-33-27(28)11-9-15-37-33)41-34-22-29(26-10-7-8-12-30(26)40-34)32-19-24(14-17-39-32)36(4,5)6;/h7-19,21H,1-6H3;/q-2;+2 |
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| InChIKey | AOQQWYYMRMUICG-UHFFFAOYSA-N |
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| XLogP | 8.89 |
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| TPSA | 60.79 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 731.76 |
| LogP ≤ 5 | 8.89 |
| 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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Analyze 4-(4-tert-butyl-2-pyridinyl)-2-[[5-(4-tert-butyl-2-pyridinyl)-6H-quinolin-6-id-7-yl]oxy]-3H-quinolin-3-ide;platinum(2+) with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
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Frequently Asked Questions
What is the IUPAC name of 4-(4-tert-butyl-2-pyridinyl)-2-[[5-(4-tert-butyl-2-pyridinyl)-6H-quinolin-6-id-7-yl]oxy]-3H-quinolin-3-ide;platinum(2+)?
The IUPAC name of 4-(4-tert-butyl-2-pyridinyl)-2-[[5-(4-tert-butyl-2-pyridinyl)-6H-quinolin-6-id-7-yl]oxy]-3H-quinolin-3-ide;platinum(2+) (CID 153428739) is 4-(4-tert-butyl-2-pyridinyl)-2-[[5-(4-tert-butyl-2-pyridinyl)-6H-quinolin-6-id-7-yl]oxy]-3H-quinolin-3-ide;platinum(2+).
What is the SMILES notation for 4-(4-tert-butyl-2-pyridinyl)-2-[[5-(4-tert-butyl-2-pyridinyl)-6H-quinolin-6-id-7-yl]oxy]-3H-quinolin-3-ide;platinum(2+)?
The canonical SMILES for 4-(4-tert-butyl-2-pyridinyl)-2-[[5-(4-tert-butyl-2-pyridinyl)-6H-quinolin-6-id-7-yl]oxy]-3H-quinolin-3-ide;platinum(2+) is CC(C)(C)c1ccnc(-c2[c-]c(Oc3[c-]c(-c4cc(C(C)(C)C)ccn4)c4ccccc4n3)cc3ncccc23)c1.[Pt+2].
What is the InChIKey of 4-(4-tert-butyl-2-pyridinyl)-2-[[5-(4-tert-butyl-2-pyridinyl)-6H-quinolin-6-id-7-yl]oxy]-3H-quinolin-3-ide;platinum(2+)?
The InChIKey is AOQQWYYMRMUICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N4O.Pt/c1-35(2,3)23-13-16-38-31(18-23)28-20-25(21-33-27(28)11-9-15-37-33)41-34-22-29(26-10-7-8-12-30(26)40-34)32-19-24(14-17-39-32)36(4,5)6;/h7-19,21H,1-6H3;/q-2;+2.
What are the key properties of 4-(4-tert-butyl-2-pyridinyl)-2-[[5-(4-tert-butyl-2-pyridinyl)-6H-quinolin-6-id-7-yl]oxy]-3H-quinolin-3-ide;platinum(2+)?
4-(4-tert-butyl-2-pyridinyl)-2-[[5-(4-tert-butyl-2-pyridinyl)-6H-quinolin-6-id-7-yl]oxy]-3H-quinolin-3-ide;platinum(2+) has a molecular weight of 731.76 g/mol, XLogP of 8.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-2-pyridinyl)-2-[[5-(4-tert-butyl-2-pyridinyl)-6H-quinolin-6-id-7-yl]oxy]-3H-quinolin-3-ide;platinum(2+) is sourced from PubChem (CID 153428739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).