C141H134N9O6Pt3Si-3 — CID 157056830
2-tert-butyl-6-[1-(2,6-dimethylphenyl)-4-[2-[4-(2-methylpropyl)-2-pyridinyl]-3H-dibenzofuran-3-id-4-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-dimethylphenyl)-4-[2-[4-(2-methylpropyl)-2-pyridinyl]-3H-dibenzofuran-3-id-4-yl]benzimidazol-2-yl]phenol;2-[1-(2,6-dimethylphenyl)-4-[2-[4-(2-methylpropyl)-5-trimethylsilyl-2-pyridinyl]-3H-dibenzofuran-3-id-4-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 157056830) has the molecular formula C141H134N9O6Pt3Si-3 and a molecular weight of 2664.00 g/mol. Its IUPAC name is 2-tert-butyl-6-[1-(2,6-dimethylphenyl)-4-[2-[4-(2-methylpropyl)-2-pyridinyl]-3H-dibenzofuran-3-id-4-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-dimethylphenyl)-4-[2-[4-(2-methylpropyl)-2-pyridinyl]-3H-dibenzofuran-3-id-4-yl]benzimidazol-2-yl]phenol;2-[1-(2,6-dimethylphenyl)-4-[2-[4-(2-methylpropyl)-5-trimethylsilyl-2-pyridinyl]-3H-dibenzofuran-3-id-4-yl]benzimidazol-2-yl]phenol;platinum.
| Compound Name | 2-tert-butyl-6-[1-(2,6-dimethylphenyl)-4-[2-[4-(2-methylpropyl)-2-pyridinyl]-3H-dibenzofuran-3-id-4-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-dimethylphenyl)-4-[2-[4-(2-methylpropyl)-2-pyridinyl]-3H-dibenzofuran-3-id-4-yl]benzimidazol-2-yl]phenol;2-[1-(2,6-dimethylphenyl)-4-[2-[4-(2-methylpropyl)-5-trimethylsilyl-2-pyridinyl]-3H-dibenzofuran-3-id-4-yl]benzimidazol-2-yl]phenol;platinum |
|---|---|
| PubChem CID | 157056830 |
| Molecular Formula | C141H134N9O6Pt3Si-3 |
| Molecular Weight | 2664.00 g/mol |
| Exact Mass | 2661.92 |
| IUPAC Name | 2-tert-butyl-6-[1-(2,6-dimethylphenyl)-4-[2-[4-(2-methylpropyl)-2-pyridinyl]-3H-dibenzofuran-3-id-4-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-dimethylphenyl)-4-[2-[4-(2-methylpropyl)-2-pyridinyl]-3H-dibenzofuran-3-id-4-yl]benzimidazol-2-yl]phenol;2-[1-(2,6-dimethylphenyl)-4-[2-[4-(2-methylpropyl)-5-trimethylsilyl-2-pyridinyl]-3H-dibenzofuran-3-id-4-yl]benzimidazol-2-yl]phenol;platinum |
| SMILES | Cc1cccc(C)c1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4cc(CC(C)C)ccn4)cc4c3oc3ccccc34)cccc21.Cc1cccc(C)c1-n1c(-c2cccc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4cc(CC(C)C)ccn4)cc4c3oc3ccccc34)cccc21.Cc1cccc(C)c1-n1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4cc(CC(C)C)c([Si](C)(C)C)cn4)cc4c3oc3ccccc34)cccc21.[Pt].[Pt].[Pt] |
| InChI | InChI=1S/C50H50N3O2.C46H42N3O2.C45H42N3O2Si.3Pt/c1-29(2)23-32-21-22-51-41(24-32)33-25-37-35-17-11-12-20-43(35)55-47(37)38(26-33)36-18-14-19-42-44(36)52-48(53(42)45-30(3)15-13-16-31(45)4)39-27-34(49(5,6)7)28-40(46(39)54)50(8,9)10;1-27(2)23-30-21-22-47-38(24-30)31-25-35-32-15-8-9-20-40(32)51-44(35)36(26-31)33-16-12-19-39-41(33)48-45(49(39)42-28(3)13-10-14-29(42)4)34-17-11-18-37(43(34)50)46(5,6)7;1-27(2)22-31-25-37(46-26-41(31)51(5,6)7)30-23-35-32-16-9-11-21-40(32)50-44(35)36(24-30)33-18-13-19-38-42(33)47-45(34-17-8-10-20-39(34)49)48(38)43-28(3)14-12-15-29(43)4;;;/h11-22,24-25,27-29,54H,23H2,1-10H3;8-22,24-25,27,50H,23H2,1-7H3;8-21,23,25-27,49H,22H2,1-7H3;;;/q3*-1;;; |
| InChIKey | GIQKXCUILKCSKN-UHFFFAOYSA-N |
| XLogP | 36.36 |
| TPSA | 192.24 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 160 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2664.00 |
| LogP ≤ 5 | 36.36 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 15 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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