C64H64N3OPt- — CID 153478519
2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-6-tert-butyl-4-methylphenol;platinum (PubChem CID 153478519) has the molecular formula C64H64N3OPt- and a molecular weight of 1100.40 g/mol. Its IUPAC name is 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-6-tert-butyl-4-methylphenol;platinum.
| Compound Name | 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-6-tert-butyl-4-methylphenol;platinum |
|---|---|
| PubChem CID | 153478519 |
| Molecular Formula | C64H64N3OPt- |
| Molecular Weight | 1100.40 g/mol |
| Exact Mass | 1099.56 |
| IUPAC Name | 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-6-tert-butyl-4-methylphenol;platinum |
| SMILES | [2H]C([2H])([2H])c1cc(-c2cc(C([2H])(C)C)cc(C([2H])(C)C)c2)ccc1-n1c(-c2cc(C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4cc(-c5ccc(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])cc5)ccn4)cc(-c4ccccc4)c3)cccc21.[Pt] |
| InChI | InChI=1S/C64H64N3O.Pt/c1-39(2)47-32-48(40(3)4)34-50(33-47)45-23-26-58(42(6)31-45)67-59-20-16-19-54(60(59)66-62(67)55-29-41(5)30-56(61(55)68)64(10,11)12)51-35-49(43-17-14-13-15-18-43)36-52(37-51)57-38-46(27-28-65-57)44-21-24-53(25-22-44)63(7,8)9;/h13-36,38-40,68H,1-12H3;/q-1;/i6D3,7D3,8D3,9D3,39D,40D; |
| InChIKey | POKUVFMZQDRYEJ-RQZMHOFNSA-N |
| XLogP | 17.38 |
| TPSA | 50.94 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 69 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1100.40 |
| LogP ≤ 5 | 17.38 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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