C128H136F12Ir4N8Si4-8 — CID 157211197
[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;(4-hexyl-6-phenyl-3-pyridinyl)-trimethylsilane;tetrakis(iridium);bis(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);trimethyl-[4-pentyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane (PubChem CID 157211197) has the molecular formula C128H136F12Ir4N8Si4-8 and a molecular weight of 2895.74 g/mol. Its IUPAC name is [4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;(4-hexyl-6-phenyl-3-pyridinyl)-trimethylsilane;tetrakis(iridium);bis(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);trimethyl-[4-pentyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane.
| Compound Name | [4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;(4-hexyl-6-phenyl-3-pyridinyl)-trimethylsilane;tetrakis(iridium);bis(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);trimethyl-[4-pentyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane |
|---|---|
| PubChem CID | 157211197 |
| Molecular Formula | C128H136F12Ir4N8Si4-8 |
| Molecular Weight | 2895.74 g/mol |
| Exact Mass | 2896.83 |
| IUPAC Name | [4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;(4-hexyl-6-phenyl-3-pyridinyl)-trimethylsilane;tetrakis(iridium);bis(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);trimethyl-[4-pentyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane |
| SMILES | CCCCCCc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CCCCCc1cc(-c2[c-]cc(C(F)(F)F)cc2)ncc1[Si](C)(C)C.C[Si](C)(C)c1cnc(-c2[c-]cc(C(F)(F)F)cc2)cc1CC1CCCC1.C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCCC1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
| InChI | InChI=1S/C21H25F3NSi.C21H28NSi.C20H25F3NSi.C20H28NSi.2C12H7F3N.2C11H8N.4Ir/c1-26(2,3)20-14-25-19(13-17(20)12-15-6-4-5-7-15)16-8-10-18(11-9-16)21(22,23)24;1-23(2,3)21-16-22-20(18-12-8-5-9-13-18)15-19(21)14-17-10-6-4-7-11-17;1-5-6-7-8-16-13-18(24-14-19(16)25(2,3)4)15-9-11-17(12-10-15)20(21,22)23;1-5-6-7-9-14-18-15-19(17-12-10-8-11-13-17)21-16-20(18)22(2,3)4;2*13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h8,10-11,13-15H,4-7,12H2,1-3H3;5,8-9,12,15-17H,4,6-7,10-11,14H2,1-3H3;9,11-14H,5-8H2,1-4H3;8,10-12,15-16H,5-7,9,14H2,1-4H3;2*1-4,6-8H;2*1-6,8-9H;;;;/q8*-1;;;; |
| InChIKey | XBOLZKVCJHSICV-UHFFFAOYSA-N |
| XLogP | 34.35 |
| TPSA | 103.12 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 156 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2895.74 |
| LogP ≤ 5 | 34.35 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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