C170H122N14O3Rh8S2-8 — CID 158137582
bis(1-methyl-2-phenyl-5-(4-phenylphenyl)imidazole);4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-thiazole;4-methyl-3-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2-phenyl-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-phenyl-5-(4-phenylphenyl)-1,2-oxazole;2-phenyl-5-(4-phenylphenyl)-1,3,4-thiadiazole;octakis(rhodium) (PubChem CID 158137582) has the molecular formula C170H122N14O3Rh8S2-8 and a molecular weight of 3296.32 g/mol. Its IUPAC name is bis(1-methyl-2-phenyl-5-(4-phenylphenyl)imidazole);4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-thiazole;4-methyl-3-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2-phenyl-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-phenyl-5-(4-phenylphenyl)-1,2-oxazole;2-phenyl-5-(4-phenylphenyl)-1,3,4-thiadiazole;octakis(rhodium).
| Compound Name | bis(1-methyl-2-phenyl-5-(4-phenylphenyl)imidazole);4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-thiazole;4-methyl-3-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2-phenyl-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-phenyl-5-(4-phenylphenyl)-1,2-oxazole;2-phenyl-5-(4-phenylphenyl)-1,3,4-thiadiazole;octakis(rhodium) |
|---|---|
| PubChem CID | 158137582 |
| Molecular Formula | C170H122N14O3Rh8S2-8 |
| Molecular Weight | 3296.32 g/mol |
| Exact Mass | 3294.17 |
| IUPAC Name | bis(1-methyl-2-phenyl-5-(4-phenylphenyl)imidazole);4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-thiazole;4-methyl-3-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2-phenyl-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-phenyl-5-(4-phenylphenyl)-1,2-oxazole;2-phenyl-5-(4-phenylphenyl)-1,3,4-thiadiazole;octakis(rhodium) |
| SMILES | Cc1nc(-c2[c-]cccc2)oc1-c1ccc(-c2ccccc2)cc1.Cc1nc(-c2[c-]cccc2)sc1-c1ccc(-c2ccccc2)cc1.Cn1c(-c2[c-]cccc2)nnc1-c1ccc(-c2ccccc2)cc1.Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1-c1[c-]cccc1.Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1-c1[c-]cccc1.[Rh].[Rh].[Rh].[Rh].[Rh].[Rh].[Rh].[Rh].[c-]1ccccc1-c1cc(-c2ccc(-c3ccccc3)cc2)on1.[c-]1ccccc1-c1nnc(-c2ccc(-c3ccccc3)cc2)o1.[c-]1ccccc1-c1nnc(-c2ccc(-c3ccccc3)cc2)s1 |
| InChI | InChI=1S/2C22H17N2.C22H16NO.C22H16NS.C21H16N3.C21H14NO.C20H13N2O.C20H13N2S.8Rh/c2*1-24-21(16-23-22(24)20-10-6-3-7-11-20)19-14-12-18(13-15-19)17-8-4-2-5-9-17;2*1-16-21(24-22(23-16)20-10-6-3-7-11-20)19-14-12-18(13-15-19)17-8-4-2-5-9-17;1-24-20(18-10-6-3-7-11-18)22-23-21(24)19-14-12-17(13-15-19)16-8-4-2-5-9-16;1-3-7-16(8-4-1)17-11-13-19(14-12-17)21-15-20(22-23-21)18-9-5-2-6-10-18;2*1-3-7-15(8-4-1)16-11-13-18(14-12-16)20-22-21-19(23-20)17-9-5-2-6-10-17;;;;;;;;/h2*2-10,12-16H,1H3;3*2-10,12-15H,1H3;1-9,11-15H;2*1-9,11-14H;;;;;;;;/q8*-1;;;;;;;; |
| InChIKey | NVGHFUZGJALJOF-UHFFFAOYSA-N |
| XLogP | 42.76 |
| TPSA | 196.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 197 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3296.32 |
| LogP ≤ 5 | 42.76 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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