C61H50N13O5Pt5S-5 — CID 159894933
benzoyl(pyridine-2-carbonyl)azanide;phenylperoxysulfanyl(pyridine-2-carbonyl)azanide;platinum;2-pyridin-2-ylimidazo[4,5-b]pyridin-3-ide;2-pyridin-2-ylindol-1-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine (PubChem CID 159894933) has the molecular formula C61H50N13O5Pt5S-5 and a molecular weight of 2052.61 g/mol. Its IUPAC name is benzoyl(pyridine-2-carbonyl)azanide;phenylperoxysulfanyl(pyridine-2-carbonyl)azanide;platinum;2-pyridin-2-ylimidazo[4,5-b]pyridin-3-ide;2-pyridin-2-ylindol-1-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine.
| Compound Name | benzoyl(pyridine-2-carbonyl)azanide;phenylperoxysulfanyl(pyridine-2-carbonyl)azanide;platinum;2-pyridin-2-ylimidazo[4,5-b]pyridin-3-ide;2-pyridin-2-ylindol-1-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine |
|---|---|
| PubChem CID | 159894933 |
| Molecular Formula | C61H50N13O5Pt5S-5 |
| Molecular Weight | 2052.61 g/mol |
| Exact Mass | 2051.20 |
| IUPAC Name | benzoyl(pyridine-2-carbonyl)azanide;phenylperoxysulfanyl(pyridine-2-carbonyl)azanide;platinum;2-pyridin-2-ylimidazo[4,5-b]pyridin-3-ide;2-pyridin-2-ylindol-1-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine |
| SMILES | CC1(C)N=C(c2ccccn2)[N-]C1(C)C.O=C([N-]C(=O)c1ccccn1)c1ccccc1.O=C([N-]SOOc1ccccc1)c1ccccn1.[Pt].[Pt].[Pt].[Pt].[Pt].c1ccc(-c2cc3ccccc3[n-]2)nc1.c1ccc(-c2nc3cccnc3[n-]2)nc1 |
| InChI | InChI=1S/C13H10N2O2.C13H9N2.C12H16N3.C12H10N2O3S.C11H7N4.5Pt/c16-12(10-6-2-1-3-7-10)15-13(17)11-8-4-5-9-14-11;1-2-6-11-10(5-1)9-13(15-11)12-7-3-4-8-14-12;1-11(2)12(3,4)15-10(14-11)9-7-5-6-8-13-9;15-12(11-8-4-5-9-13-11)14-18-17-16-10-6-2-1-3-7-10;1-2-6-12-8(4-1)11-14-9-5-3-7-13-10(9)15-11;;;;;/h1-9H,(H,15,16,17);1-9H;5-8H,1-4H3;1-9H,(H,14,15);1-7H;;;;;/q;2*-1;;-1;;;;;/p-2 |
| InChIKey | QWODXIZQNKZECR-UHFFFAOYSA-L |
| XLogP | 12.87 |
| TPSA | 242.76 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 85 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2052.61 |
| LogP ≤ 5 | 12.87 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'} |
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