C143H136Ir4N8O4Si4-8 — CID 158698473
[4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzofuran-7-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenylpyridine);trimethyl-[6-(4-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-4-yl]silane (PubChem CID 158698473) has the molecular formula C143H136Ir4N8O4Si4-8 and a molecular weight of 2911.92 g/mol. Its IUPAC name is [4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzofuran-7-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenylpyridine);trimethyl-[6-(4-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-4-yl]silane.
| Compound Name | [4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzofuran-7-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenylpyridine);trimethyl-[6-(4-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-4-yl]silane |
|---|---|
| PubChem CID | 158698473 |
| Molecular Formula | C143H136Ir4N8O4Si4-8 |
| Molecular Weight | 2911.92 g/mol |
| Exact Mass | 2912.83 |
| IUPAC Name | [4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzofuran-7-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenylpyridine);trimethyl-[6-(4-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-4-yl]silane |
| SMILES | C[Si](C)(C)c1c[c-]c(-c2ccc(C3CCCCC3)cn2)c2oc3ccccc3c12.C[Si](C)(C)c1ccc2oc3c(-c4ccc(C5CCCCC5)cn4)[c-]ccc3c2c1.C[Si](C)(C)c1cccc2oc3c(-c4ccc(C5CCCCC5)cn4)[c-]ccc3c12.Cc1ccnc(-c2[c-]ccc3c2oc2c([Si](C)(C)C)cccc23)c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
| InChI | InChI=1S/3C26H28NOSi.C21H20NOSi.4C11H8N.4Ir/c1-29(2,3)24-14-8-13-23-25(24)21-12-7-11-20(26(21)28-23)22-16-15-19(17-27-22)18-9-5-4-6-10-18;1-29(2,3)24-16-14-20(26-25(24)21-11-7-8-12-23(21)28-26)22-15-13-19(17-27-22)18-9-5-4-6-10-18;1-29(2,3)20-13-15-25-23(16-20)21-10-7-11-22(26(21)28-25)24-14-12-19(17-27-24)18-8-5-4-6-9-18;1-14-11-12-22-18(13-14)17-9-5-7-15-16-8-6-10-19(24(2,3)4)21(16)23-20(15)17;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h7-8,12-18H,4-6,9-10H2,1-3H3;7-8,11-13,15-18H,4-6,9-10H2,1-3H3;7,10,12-18H,4-6,8-9H2,1-3H3;5-8,10-13H,1-4H3;4*1-6,8-9H;;;;/q8*-1;;;; |
| InChIKey | GZHKSSGVLDMNBQ-UHFFFAOYSA-N |
| XLogP | 36.61 |
| TPSA | 155.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 163 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2911.92 |
| LogP ≤ 5 | 36.61 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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