C144H131Cu3Ir2N15O4OsP3Pt-12 — CID 158007367
benzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;(Z)-4-hydroxypent-3-en-2-one;bis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;osmium;2-phenylpyridine;platinum (PubChem CID 158007367) has the molecular formula C144H131Cu3Ir2N15O4OsP3Pt-12 and a molecular weight of 3189.03 g/mol. Its IUPAC name is benzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;(Z)-4-hydroxypent-3-en-2-one;bis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;osmium;2-phenylpyridine;platinum.
| Compound Name | benzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;(Z)-4-hydroxypent-3-en-2-one;bis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;osmium;2-phenylpyridine;platinum |
|---|---|
| PubChem CID | 158007367 |
| Molecular Formula | C144H131Cu3Ir2N15O4OsP3Pt-12 |
| Molecular Weight | 3189.03 g/mol |
| Exact Mass | 3188.62 |
| IUPAC Name | benzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;(Z)-4-hydroxypent-3-en-2-one;bis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;osmium;2-phenylpyridine;platinum |
| SMILES | CC(=O)/C=C(/C)O.CN1C=CN(c2[c-]ccc3c2oc2ccccc23)[CH-]1.CN1C=CN(c2[c-]cccc2)[CH-]1.CN1[CH-]N(c2[c-]c(N3[CH-]N(C)c4ccccc43)ccc2)c2ccccc21.[CH2-]c1ccccc1[N-]c1ccccc1PCC(C)C.[CH2-]c1ccccc1[N-]c1ccccc1[CH2-].[Cu+].[Cu].[Cu].[H]/N=C(/N=C(/[NH-])c1ccccn1)c1ccccc1.[Ir].[Ir].[Os].[Pt].[c-]1ccccc1-c1ccccn1.c1ccc(Pc2ccccc2Oc2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccccc1 |
| InChI | InChI=1S/C30H24OP2.C22H19N4.C17H20NP.C16H12N2O.C14H12N.C13H11N4.C11H8N.C10H10N2.C6H6.C5H8O2.3Cu.2Ir.Os.Pt/c1-4-14-24(15-5-1)32-29-22-12-10-20-27(29)31-28-21-11-13-23-30(28)33(25-16-6-2-7-17-25)26-18-8-3-9-19-26;1-23-15-25(21-12-5-3-10-19(21)23)17-8-7-9-18(14-17)26-16-24(2)20-11-4-6-13-22(20)26;1-13(2)12-19-17-11-7-6-10-16(17)18-15-9-5-4-8-14(15)3;1-17-9-10-18(11-17)14-7-4-6-13-12-5-2-3-8-15(12)19-16(13)14;1-11-7-3-5-9-13(11)15-14-10-6-4-8-12(14)2;14-12(10-6-2-1-3-7-10)17-13(15)11-8-4-5-9-16-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-11-7-8-12(9-11)10-5-3-2-4-6-10;1-2-4-6-5-3-1;1-4(6)3-5(2)7;;;;;;;/h1-23,32H;3-13,15-16H,1-2H3;4-11,13,19H,3,12H2,1-2H3;2-6,8-11H,1H3;3-10H,1-2H2;1-9H,(H2-,14,15,17);1-6,8-9H;2-5,7-9H,1H3;1-6H;3,6H,1-2H3;;;;;;;/q;-3;2*-2;-3;2*-1;-2;;;;;+1;;;;/p+1/b;;;;;;;;;4-3-;;;;;;; |
| InChIKey | RLOXIZYZFNZQEP-OYXROYEGSA-O |
| XLogP | 33.77 |
| TPSA | 199.58 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 173 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3189.03 |
| LogP ≤ 5 | 33.77 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 15 |
| 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': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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