C212H188Ir4N12O4Si4-8 — CID 161253898
1-(2-tert-butyl-6-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;tetrakis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4-diphenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3,4,5-trideuterio-2,6-diphenylphenyl)benzimidazole;tetrakis(iridium) (PubChem CID 161253898) has the molecular formula C212H188Ir4N12O4Si4-8 and a molecular weight of 3856.17 g/mol. Its IUPAC name is 1-(2-tert-butyl-6-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;tetrakis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4-diphenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3,4,5-trideuterio-2,6-diphenylphenyl)benzimidazole;tetrakis(iridium).
| Compound Name | 1-(2-tert-butyl-6-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;tetrakis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4-diphenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3,4,5-trideuterio-2,6-diphenylphenyl)benzimidazole;tetrakis(iridium) |
|---|---|
| PubChem CID | 161253898 |
| Molecular Formula | C212H188Ir4N12O4Si4-8 |
| Molecular Weight | 3856.17 g/mol |
| Exact Mass | 3856.30 |
| IUPAC Name | 1-(2-tert-butyl-6-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;tetrakis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4-diphenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3,4,5-trideuterio-2,6-diphenylphenyl)benzimidazole;tetrakis(iridium) |
| SMILES | CC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3ccccc34)nc3ccccc32)c(-c2ccccc2)c1.CC(C)(C)c1cccc(-c2ccccc2)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]c1c([2H])c(-c2ccccc2)c(-n2c(-c3[c-]ccc4c3oc3ccccc34)nc3ccccc32)c(-c2ccccc2)c1[2H].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccc(-c2ccccc2)cc1-c1ccccc1 |
| InChI | InChI=1S/2C37H23N2O.2C35H27N2O.4C17H22NSi.4Ir/c1-3-13-25(14-4-1)27-18-11-19-28(26-15-5-2-6-16-26)35(27)39-33-23-9-8-22-32(33)38-37(39)31-21-12-20-30-29-17-7-10-24-34(29)40-36(30)31;1-3-12-25(13-4-1)27-22-23-33(31(24-27)26-14-5-2-6-15-26)39-34-20-9-8-19-32(34)38-37(39)30-18-11-17-29-28-16-7-10-21-35(28)40-36(29)30;1-35(2,3)28-19-12-16-24(23-13-5-4-6-14-23)32(28)37-30-21-9-8-20-29(30)36-34(37)27-18-11-17-26-25-15-7-10-22-31(25)38-33(26)27;1-35(2,3)24-20-21-30(28(22-24)23-12-5-4-6-13-23)37-31-18-9-8-17-29(31)36-34(37)27-16-11-15-26-25-14-7-10-19-32(25)38-33(26)27;4*1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;;;;/h1-20,22-24H;1-17,19-24H;4-17,19-22H,1-3H3;4-15,17-22H,1-3H3;4*6-9,11-13H,1-5H3;;;;/q8*-1;;;;/i11D,18D,19D;;;;4*13D;;;; |
| InChIKey | RUKLQBCUMWUFGA-CBIXWVFMSA-N |
| XLogP | 55.02 |
| TPSA | 175.40 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 236 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3856.17 |
| LogP ≤ 5 | 55.02 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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