C118H130Ir4N8Si4-8 — CID 160865618
[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-ethyl-6-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);2-phenylpyridine;2,3,4,5-tetradeuterio-6-phenylpyridine;bis(2,3,4,5-tetradeuterio-6-(3,4,5-trideuteriobenzene-6-id-1-yl)pyridine);trimethyl-(4-pentyl-6-phenyl-3-pyridinyl)silane (PubChem CID 160865618) has the molecular formula C118H130Ir4N8Si4-8 and a molecular weight of 2563.74 g/mol. Its IUPAC name is [4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-ethyl-6-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);2-phenylpyridine;2,3,4,5-tetradeuterio-6-phenylpyridine;bis(2,3,4,5-tetradeuterio-6-(3,4,5-trideuteriobenzene-6-id-1-yl)pyridine);trimethyl-(4-pentyl-6-phenyl-3-pyridinyl)silane.
| Compound Name | [4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-ethyl-6-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);2-phenylpyridine;2,3,4,5-tetradeuterio-6-phenylpyridine;bis(2,3,4,5-tetradeuterio-6-(3,4,5-trideuteriobenzene-6-id-1-yl)pyridine);trimethyl-(4-pentyl-6-phenyl-3-pyridinyl)silane |
|---|---|
| PubChem CID | 160865618 |
| Molecular Formula | C118H130Ir4N8Si4-8 |
| Molecular Weight | 2563.74 g/mol |
| Exact Mass | 2564.94 |
| IUPAC Name | [4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-ethyl-6-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);2-phenylpyridine;2,3,4,5-tetradeuterio-6-phenylpyridine;bis(2,3,4,5-tetradeuterio-6-(3,4,5-trideuteriobenzene-6-id-1-yl)pyridine);trimethyl-(4-pentyl-6-phenyl-3-pyridinyl)silane |
| SMILES | CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CCCCCc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCC1.[2H]c1[c-]c(-c2cc(CC)c([Si](C)(C)C)cn2)c([2H])c([2H])c1[2H].[2H]c1[c-]c(-c2nc([2H])c([2H])c([2H])c2[2H])cc([2H])c1[2H].[2H]c1[c-]c(-c2nc([2H])c([2H])c([2H])c2[2H])cc([2H])c1[2H].[2H]c1nc(-c2[c-]cccc2)c([2H])c([2H])c1[2H].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1 |
| InChI | InChI=1S/C20H26NSi.2C19H26NSi.C16H20NSi.4C11H8N.4Ir/c1-22(2,3)20-15-21-19(17-11-5-4-6-12-17)14-18(20)13-16-9-7-8-10-16;1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;1-5-6-8-13-17-14-18(16-11-9-7-10-12-16)20-15-19(17)21(2,3)4;1-5-13-11-15(14-9-7-6-8-10-14)17-12-16(13)18(2,3)4;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h4-6,11,14-16H,7-10,13H2,1-3H3;7-10,12,14H,13H2,1-6H3;7,9-11,14-15H,5-6,8,13H2,1-4H3;6-9,11-12H,5H2,1-4H3;4*1-6,8-9H;;;;/q8*-1;;;;/i;;;6D,7D,8D,9D;2*1D,2D,3D,4D,5D,8D,9D;4D,5D,8D,9D;;;;; |
| InChIKey | JGPJKTAGERPUEY-JRRWSNNOSA-N |
| XLogP | 28.18 |
| TPSA | 103.12 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 134 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2563.74 |
| LogP ≤ 5 | 28.18 |
| 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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