C157H194Ir5N10Si10-10 — CID 162130870
(4-butan-2-yl-6-phenyl-3-pyridinyl)-trimethylsilane;(4-ethyl-6-phenyl-3-pyridinyl)-trimethylsilane;pentakis(iridium);trimethyl-[4-(3-methylbutan-2-yl)-6-phenyl-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane;trimethyl-(6-phenyl-4-propyl-3-pyridinyl)silane;pentakis(trimethyl-(6-phenyl-3-pyridinyl)silane) (PubChem CID 162130870) has the molecular formula C157H194Ir5N10Si10-10 and a molecular weight of 3463.29 g/mol. Its IUPAC name is (4-butan-2-yl-6-phenyl-3-pyridinyl)-trimethylsilane;(4-ethyl-6-phenyl-3-pyridinyl)-trimethylsilane;pentakis(iridium);trimethyl-[4-(3-methylbutan-2-yl)-6-phenyl-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane;trimethyl-(6-phenyl-4-propyl-3-pyridinyl)silane;pentakis(trimethyl-(6-phenyl-3-pyridinyl)silane).
| Compound Name | (4-butan-2-yl-6-phenyl-3-pyridinyl)-trimethylsilane;(4-ethyl-6-phenyl-3-pyridinyl)-trimethylsilane;pentakis(iridium);trimethyl-[4-(3-methylbutan-2-yl)-6-phenyl-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane;trimethyl-(6-phenyl-4-propyl-3-pyridinyl)silane;pentakis(trimethyl-(6-phenyl-3-pyridinyl)silane) |
|---|---|
| PubChem CID | 162130870 |
| Molecular Formula | C157H194Ir5N10Si10-10 |
| Molecular Weight | 3463.29 g/mol |
| Exact Mass | 3464.14 |
| IUPAC Name | (4-butan-2-yl-6-phenyl-3-pyridinyl)-trimethylsilane;(4-ethyl-6-phenyl-3-pyridinyl)-trimethylsilane;pentakis(iridium);trimethyl-[4-(3-methylbutan-2-yl)-6-phenyl-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane;trimethyl-(6-phenyl-4-propyl-3-pyridinyl)silane;pentakis(trimethyl-(6-phenyl-3-pyridinyl)silane) |
| SMILES | CC(C)C(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CCC(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CCCc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CCc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[Ir] |
| InChI | InChI=1S/C19H26NSi.C18H24NSi.2C17H22NSi.C16H20NSi.5C14H16NSi.5Ir/c1-14(2)15(3)17-12-18(16-10-8-7-9-11-16)20-13-19(17)21(4,5)6;1-6-14(2)16-12-17(15-10-8-7-9-11-15)19-13-18(16)20(3,4)5;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;1-5-9-15-12-16(14-10-7-6-8-11-14)18-13-17(15)19(2,3)4;1-5-13-11-15(14-9-7-6-8-10-14)17-12-16(13)18(2,3)4;5*1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;;;;;/h7-10,12-15H,1-6H3;7-10,12-14H,6H2,1-5H3;6-9,11-13H,1-5H3;6-8,10,12-13H,5,9H2,1-4H3;6-9,11-12H,5H2,1-4H3;5*4-7,9-11H,1-3H3;;;;;/q10*-1;;;;; |
| InChIKey | XWXZMAZUNFCSKK-UHFFFAOYSA-N |
| XLogP | 36.84 |
| TPSA | 128.90 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 182 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3463.29 |
| LogP ≤ 5 | 36.84 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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