C58H47N4OPtTe-3 — CID 167378676
7-tert-butyl-5-[2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]telluropheno[3,2-b]pyridine;platinum (PubChem CID 167378676) has the molecular formula C58H47N4OPtTe-3 and a molecular weight of 1138.72 g/mol. Its IUPAC name is 7-tert-butyl-5-[2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]telluropheno[3,2-b]pyridine;platinum.
| Compound Name | 7-tert-butyl-5-[2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]telluropheno[3,2-b]pyridine;platinum |
|---|---|
| PubChem CID | 167378676 |
| Molecular Formula | C58H47N4OPtTe-3 |
| Molecular Weight | 1138.72 g/mol |
| Exact Mass | 1140.25 |
| IUPAC Name | 7-tert-butyl-5-[2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]telluropheno[3,2-b]pyridine;platinum |
| SMILES | CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)c3[te]ccc3n2)[c-]c(N2[CH-]N(c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccccc32)c1.[Pt] |
| InChI | InChI=1S/C58H47N4OTe.Pt/c1-57(2,3)40-32-41(60-37-61(52-27-16-15-26-51(52)60)55-44(38-18-9-7-10-19-38)23-17-24-45(55)39-20-11-8-12-21-39)34-43(33-40)63-42-28-29-47-46-22-13-14-25-50(46)62(53(47)35-42)54-36-48(58(4,5)6)56-49(59-54)30-31-64-56;/h7-33,36-37H,1-6H3;/q-3; |
| InChIKey | SMJAVVONQATPQI-UHFFFAOYSA-N |
| XLogP | 15.12 |
| TPSA | 33.53 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Heavy Atoms | 65 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1138.72 |
| LogP ≤ 5 | 15.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|