C59H39N4O2Pt-3 — CID 164833994
6-(2,6-diphenylphenyl)-3-[3-[[9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-7-phenyl-5H-imidazo[5,1-b][1,3]oxazol-5-ide;platinum (PubChem CID 164833994) has the molecular formula C59H39N4O2Pt-3 and a molecular weight of 1036.10 g/mol. Its IUPAC name is 6-(2,6-diphenylphenyl)-3-[3-[[9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-7-phenyl-5H-imidazo[5,1-b][1,3]oxazol-5-ide;platinum.
| Compound Name | 6-(2,6-diphenylphenyl)-3-[3-[[9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-7-phenyl-5H-imidazo[5,1-b][1,3]oxazol-5-ide;platinum |
|---|---|
| PubChem CID | 164833994 |
| Molecular Formula | C59H39N4O2Pt-3 |
| Molecular Weight | 1036.10 g/mol |
| Exact Mass | 1035.31 |
| IUPAC Name | 6-(2,6-diphenylphenyl)-3-[3-[[9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-7-phenyl-5H-imidazo[5,1-b][1,3]oxazol-5-ide;platinum |
| SMILES | [2H]c1c([2H])c([2H])c(-c2cnc(-n3c4[c-]c(Oc5[c-]c(C6=COC7=C(c8ccccc8)N(c8c(-c9ccccc9)cccc8-c8ccccc8)[CH-]N67)ccc5)ccc4c4ccccc43)cc2C)c([2H])c1[2H].[Pt] |
| InChI | InChI=1S/C59H39N4O2.Pt/c1-40-34-56(60-37-52(40)43-22-10-4-11-23-43)63-53-31-15-14-28-50(53)51-33-32-47(36-54(51)63)65-46-27-16-26-45(35-46)55-38-64-59-57(44-24-12-5-13-25-44)62(39-61(55)59)58-48(41-18-6-2-7-19-41)29-17-30-49(58)42-20-8-3-9-21-42;/h2-34,37-39H,1H3;/q-3;/i4D,10D,11D,22D,23D; |
| InChIKey | UAKFOVJDZQAKNK-FERFLECVSA-N |
| XLogP | 14.47 |
| TPSA | 42.76 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 66 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1036.10 |
| LogP ≤ 5 | 14.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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