C179H162F3Ir9N25O15OsPdPt-11 — CID 158392131
2-tert-butyl-5-pyridin-2-yl-4H-1,3-oxazol-4-ide;bis(2-(1-ethyl-4H-imidazol-4-id-5-yl)pyridine);2-(3H-furan-3-id-2-yl)pyridine;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;nonakis(iridium);bis(2-(5-methyl-3H-furan-3-id-2-yl)pyridine);2-(methyliminomethyl)phenol;5-methyl-2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine;2-methyl-5-pyridin-2-yl-4H-1,3-oxazol-4-ide;osmium(1+);1-oxido-2-phenylpyridin-1-ium;palladium;bis(2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine);2-(1-phenyl-3H-pyrrol-3-id-2-yl)-5-(trifluoromethyl)pyridine;platinum;bis(pyridine-2-carboxylic acid) (PubChem CID 158392131) has the molecular formula C179H162F3Ir9N25O15OsPdPt-11 and a molecular weight of 5182.10 g/mol. Its IUPAC name is 2-tert-butyl-5-pyridin-2-yl-4H-1,3-oxazol-4-ide;bis(2-(1-ethyl-4H-imidazol-4-id-5-yl)pyridine);2-(3H-furan-3-id-2-yl)pyridine;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;nonakis(iridium);bis(2-(5-methyl-3H-furan-3-id-2-yl)pyridine);2-(methyliminomethyl)phenol;5-methyl-2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine;2-methyl-5-pyridin-2-yl-4H-1,3-oxazol-4-ide;osmium(1+);1-oxido-2-phenylpyridin-1-ium;palladium;bis(2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine);2-(1-phenyl-3H-pyrrol-3-id-2-yl)-5-(trifluoromethyl)pyridine;platinum;bis(pyridine-2-carboxylic acid).
| Compound Name | 2-tert-butyl-5-pyridin-2-yl-4H-1,3-oxazol-4-ide;bis(2-(1-ethyl-4H-imidazol-4-id-5-yl)pyridine);2-(3H-furan-3-id-2-yl)pyridine;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;nonakis(iridium);bis(2-(5-methyl-3H-furan-3-id-2-yl)pyridine);2-(methyliminomethyl)phenol;5-methyl-2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine;2-methyl-5-pyridin-2-yl-4H-1,3-oxazol-4-ide;osmium(1+);1-oxido-2-phenylpyridin-1-ium;palladium;bis(2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine);2-(1-phenyl-3H-pyrrol-3-id-2-yl)-5-(trifluoromethyl)pyridine;platinum;bis(pyridine-2-carboxylic acid) |
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| PubChem CID | 158392131 |
| Molecular Formula | C179H162F3Ir9N25O15OsPdPt-11 |
| Molecular Weight | 5182.10 g/mol |
| Exact Mass | 5187.77 |
| IUPAC Name | 2-tert-butyl-5-pyridin-2-yl-4H-1,3-oxazol-4-ide;bis(2-(1-ethyl-4H-imidazol-4-id-5-yl)pyridine);2-(3H-furan-3-id-2-yl)pyridine;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;nonakis(iridium);bis(2-(5-methyl-3H-furan-3-id-2-yl)pyridine);2-(methyliminomethyl)phenol;5-methyl-2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine;2-methyl-5-pyridin-2-yl-4H-1,3-oxazol-4-ide;osmium(1+);1-oxido-2-phenylpyridin-1-ium;palladium;bis(2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine);2-(1-phenyl-3H-pyrrol-3-id-2-yl)-5-(trifluoromethyl)pyridine;platinum;bis(pyridine-2-carboxylic acid) |
| SMILES | C/N=C/c1ccccc1O.CC(=O)C=C(C)O.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)c1n[c-]c(-c2ccccn2)o1.CCn1cn[c-]c1-c1ccccn1.CCn1cn[c-]c1-c1ccccn1.Cc1c[c-]c(-c2ccccn2)o1.Cc1c[c-]c(-c2ccccn2)o1.Cc1ccc(-c2[c-]ccn2-c2ccccc2)nc1.Cc1n[c-]c(-c2ccccn2)o1.FC(F)(F)c1ccc(-c2[c-]ccn2-c2ccccc2)nc1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[O-][n+]1ccccc1-c1[c-]cccc1.[Os+].[Pd].[Pt].[c-]1ccn(-c2ccccc2)c1-c1ccccn1.[c-]1ccn(-c2ccccc2)c1-c1ccccn1.[c-]1ccoc1-c1ccccn1 |
| InChI | InChI=1S/C16H10F3N2.C16H13N2.2C15H11N2.C12H13N2O.C11H8NO.C11H20O2.2C10H10N3.2C10H8NO.C9H7N2O.C9H6NO.C8H9NO.2C6H5NO2.C5H8O2.9Ir.Os.Pd.Pt/c17-16(18,19)12-8-9-14(20-11-12)15-7-4-10-21(15)13-5-2-1-3-6-13;1-13-9-10-15(17-12-13)16-8-5-11-18(16)14-6-3-2-4-7-14;2*1-2-7-13(8-3-1)17-12-6-10-15(17)14-9-4-5-11-16-14;1-12(2,3)11-14-8-10(15-11)9-6-4-5-7-13-9;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-10(2,3)8(12)7-9(13)11(4,5)6;2*1-2-13-8-11-7-10(13)9-5-3-4-6-12-9;2*1-8-5-6-10(12-8)9-4-2-3-7-11-9;1-7-11-6-9(12-7)8-4-2-3-5-10-8;1-2-6-10-8(4-1)9-5-3-7-11-9;1-9-6-7-4-2-3-5-8(7)10;2*8-6(9)5-3-1-2-4-7-5;1-4(6)3-5(2)7;;;;;;;;;;;;/h1-6,8-11H;2-7,9-12H,1H3;2*1-9,11-12H;4-7H,1-3H3;1-6,8-9H;7,12H,1-6H3;2*3-6,8H,2H2,1H3;2*2-5,7H,1H3;2-5H,1H3;1-4,6-7H;2-6,10H,1H3;2*1-4H,(H,8,9);3,6H,1-2H3;;;;;;;;;;;;/q6*-1;;6*-1;;;;;;;;;;;;;;+1;;/b;;;;;;;;;;;;;9-6+;;;;;;;;;;;;;;; |
| InChIKey | MYHBUISYWWVWBA-PKYCSVCLSA-N |
| XLogP | 38.82 |
| TPSA | 523.14 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 234 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5182.10 |
| LogP ≤ 5 | 38.82 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 37 |
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'} |
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