C204H193N39O7PPt8SSi-5 — CID 157105899
benzenethiolate;2,4-bis(triazol-2-ylmethyl)-3H-pyridin-3-ide;2,6-diphenylphenol;hydroxy(triphenyl)silane;4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;4-methyl-1,2,4-triazol-3-ol;1,3,4-oxadiazol-2-ol;phenol;4-phenyl-2-(1-pyrazol-1-ylcyclohexyl)-6-[1-(2H-pyrrol-2-id-1-yl)cyclohexyl]pyridine;platinum;bis(platinum(2+));tetrakis(1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole);2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;triphenylphosphanium (PubChem CID 157105899) has the molecular formula C204H193N39O7PPt8SSi-5 and a molecular weight of 4954.81 g/mol. Its IUPAC name is benzenethiolate;2,4-bis(triazol-2-ylmethyl)-3H-pyridin-3-ide;2,6-diphenylphenol;hydroxy(triphenyl)silane;4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;4-methyl-1,2,4-triazol-3-ol;1,3,4-oxadiazol-2-ol;phenol;4-phenyl-2-(1-pyrazol-1-ylcyclohexyl)-6-[1-(2H-pyrrol-2-id-1-yl)cyclohexyl]pyridine;platinum;bis(platinum(2+));tetrakis(1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole);2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;triphenylphosphanium.
| Compound Name | benzenethiolate;2,4-bis(triazol-2-ylmethyl)-3H-pyridin-3-ide;2,6-diphenylphenol;hydroxy(triphenyl)silane;4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;4-methyl-1,2,4-triazol-3-ol;1,3,4-oxadiazol-2-ol;phenol;4-phenyl-2-(1-pyrazol-1-ylcyclohexyl)-6-[1-(2H-pyrrol-2-id-1-yl)cyclohexyl]pyridine;platinum;bis(platinum(2+));tetrakis(1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole);2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;triphenylphosphanium |
|---|---|
| PubChem CID | 157105899 |
| Molecular Formula | C204H193N39O7PPt8SSi-5 |
| Molecular Weight | 4954.81 g/mol |
| Exact Mass | 4951.24 |
| IUPAC Name | benzenethiolate;2,4-bis(triazol-2-ylmethyl)-3H-pyridin-3-ide;2,6-diphenylphenol;hydroxy(triphenyl)silane;4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;4-methyl-1,2,4-triazol-3-ol;1,3,4-oxadiazol-2-ol;phenol;4-phenyl-2-(1-pyrazol-1-ylcyclohexyl)-6-[1-(2H-pyrrol-2-id-1-yl)cyclohexyl]pyridine;platinum;bis(platinum(2+));tetrakis(1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole);2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;triphenylphosphanium |
| SMILES | Cc1cc(Cn2[c-]ccc2)nc(Cn2[c-]ccc2)c1.Cn1cnnc1O.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1nnco1.[Pt+2].[Pt+2].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[S-]c1ccccc1.[c-]1c(Cn2cccn2)cccc1Cn1cccn1.[c-]1c(Cn2cccn2)cccc1Cn1cccn1.[c-]1c(Cn2cccn2)cccc1Cn1cccn1.[c-]1c(Cn2cccn2)cccc1Cn1cccn1.[c-]1c(Cn2nccn2)ccnc1Cn1nccn1.[c-]1cccn1C1(c2cc(-c3ccccc3)cc(C3(n4cccn4)CCCCC3)n2)CCCCC1.[c-]1cccn1Cc1cccc(Cn2cccn2)n1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1 |
| InChI | InChI=1S/C30H33N4.C18H16OSi.C18H14O.C18H15P.C16H15N3.5C14H13N4.C11H10N7.2C6H6O.C6H6S.C3H5N3O.C2H2N2O2.8Pt/c1-4-13-25(14-5-1)26-23-27(29(15-6-2-7-16-29)33-20-10-11-21-33)32-28(24-26)30(17-8-3-9-18-30)34-22-12-19-31-34;19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14-10-15(12-18-6-2-3-7-18)17-16(11-14)13-19-8-4-5-9-19;4*1-4-13(11-17-8-2-6-15-17)10-14(5-1)12-18-9-3-7-16-18;1-2-9-17(8-1)11-13-5-3-6-14(16-13)12-18-10-4-7-15-18;1-2-12-11(9-18-15-5-6-16-18)7-10(1)8-17-13-3-4-14-17;3*7-6-4-2-1-3-5-6;1-6-2-4-5-3(6)7;5-2-4-3-1-6-2;;;;;;;;/h1,4-5,10-14,19-20,22-24H,2-3,6-9,15-18H2;1-15,19H;1-13,19H;1-15H;2-6,8,10-11H,12-13H2,1H3;4*1-9H,11-12H2;1-8,10H,11-12H2;1-6H,8-9H2;3*1-5,7H;2H,1H3,(H,5,7);1H,(H,4,5);;;;;;;;/q-1;;;;-2;6*-1;;;;;;;;;;;;2*+2 |
| InChIKey | MUDLNIBIUNSVEL-UHFFFAOYSA-N |
| XLogP | 32.90 |
| TPSA | 501.91 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 47 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 261 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4954.81 |
| LogP ≤ 5 | 32.90 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 47 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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