C124H99N16ORh3S — CID 158998564
tris(3,5-dimethyl-1-phenylpyrazole);1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole;tris(rhodium(3+)) (PubChem CID 158998564) has the molecular formula C124H99N16ORh3S and a molecular weight of 2170.05 g/mol. Its IUPAC name is tris(3,5-dimethyl-1-phenylpyrazole);1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole;tris(rhodium(3+)).
| Compound Name | tris(3,5-dimethyl-1-phenylpyrazole);1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole;tris(rhodium(3+)) |
|---|---|
| PubChem CID | 158998564 |
| Molecular Formula | C124H99N16ORh3S |
| Molecular Weight | 2170.05 g/mol |
| Exact Mass | 2168.51 |
| IUPAC Name | tris(3,5-dimethyl-1-phenylpyrazole);1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole;tris(rhodium(3+)) |
| SMILES | Cc1cc(C)n(-c2[c-]cccc2)n1.Cc1cc(C)n(-c2[c-]cccc2)n1.Cc1cc(C)n(-c2[c-]cccc2)n1.Cn1ccnc1-c1[c-]cccc1.[Rh+3].[Rh+3].[Rh+3].[c-]1ccccc1-c1ncco1.[c-]1ccccc1-c1nccs1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1 |
| InChI | InChI=1S/3C21H15N2.3C11H11N2.C10H9N2.C9H6NO.C9H6NS.3Rh/c3*1-3-7-17(8-4-1)18-11-13-19(14-12-18)20-15-22-23(16-20)21-9-5-2-6-10-21;3*1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;1-12-8-7-11-10(12)9-5-3-2-4-6-9;2*1-2-4-8(5-3-1)9-10-6-7-11-9;;;/h3*1-9,11-16H;3*3-6,8H,1-2H3;2-5,7-8H,1H3;2*1-4,6-7H;;;/q9*-1;3*+3 |
| InChIKey | KQQAROPZKPVZPJ-UHFFFAOYSA-N |
| XLogP | 28.52 |
| TPSA | 163.66 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 145 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2170.05 |
| LogP ≤ 5 | 28.52 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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