C82H58N8ORh4S2-2 — CID 159619441
3-methyl-1-phenyl-4-(4-phenylphenyl)triazol-1-ium;3-phenyl-5-(4-phenylphenyl)-1,2,4-oxadiazole;3-phenyl-5-(4-phenylphenyl)-1,2,4-thiadiazole;3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazol-2-ide;tris(rhodium);rhodium(2+) (PubChem CID 159619441) has the molecular formula C82H58N8ORh4S2-2 and a molecular weight of 1647.18 g/mol. Its IUPAC name is 3-methyl-1-phenyl-4-(4-phenylphenyl)triazol-1-ium;3-phenyl-5-(4-phenylphenyl)-1,2,4-oxadiazole;3-phenyl-5-(4-phenylphenyl)-1,2,4-thiadiazole;3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazol-2-ide;tris(rhodium);rhodium(2+).
| Compound Name | 3-methyl-1-phenyl-4-(4-phenylphenyl)triazol-1-ium;3-phenyl-5-(4-phenylphenyl)-1,2,4-oxadiazole;3-phenyl-5-(4-phenylphenyl)-1,2,4-thiadiazole;3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazol-2-ide;tris(rhodium);rhodium(2+) |
|---|---|
| PubChem CID | 159619441 |
| Molecular Formula | C82H58N8ORh4S2-2 |
| Molecular Weight | 1647.18 g/mol |
| Exact Mass | 1646.04 |
| IUPAC Name | 3-methyl-1-phenyl-4-(4-phenylphenyl)triazol-1-ium;3-phenyl-5-(4-phenylphenyl)-1,2,4-oxadiazole;3-phenyl-5-(4-phenylphenyl)-1,2,4-thiadiazole;3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazol-2-ide;tris(rhodium);rhodium(2+) |
| SMILES | Cn1n[n+](-c2[c-]cccc2)cc1-c1ccc(-c2ccccc2)cc1.[Rh+2].[Rh].[Rh].[Rh].[c-]1ccccc1-c1noc(-c2ccc(-c3ccccc3)cc2)n1.[c-]1ccccc1-c1nsc(-c2ccc(-c3ccccc3)cc2)n1.[c-]1ccccc1N1C=C(c2ccc(-c3ccccc3)cc2)S[CH-]1 |
| InChI | InChI=1S/C21H17N3.C21H15NS.C20H13N2O.C20H13N2S.4Rh/c1-23-21(16-24(22-23)20-10-6-3-7-11-20)19-14-12-18(13-15-19)17-8-4-2-5-9-17;1-3-7-17(8-4-1)18-11-13-19(14-12-18)21-15-22(16-23-21)20-9-5-2-6-10-20;2*1-3-7-15(8-4-1)16-11-13-18(14-12-16)20-21-19(22-23-20)17-9-5-2-6-10-17;;;;/h2-10,12-16H,1H3;1-9,11-16H;2*1-9,11-14H;;;;/q;-2;2*-1;;;;+2 |
| InChIKey | YXRILGZWLDVNIH-UHFFFAOYSA-N |
| XLogP | 19.86 |
| TPSA | 89.64 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 97 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1647.18 |
| LogP ≤ 5 | 19.86 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
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