C180H186Ir5N10Si5-10 — CID 162205540
[4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;(4-ethyl-6-phenyl-3-pyridinyl)-trimethylsilane;pentakis(iridium);tetrakis(2-phenyl-6-phenylpyridine);2-phenyl-3-(4-propan-2-ylphenyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane (PubChem CID 162205540) has the molecular formula C180H186Ir5N10Si5-10 and a molecular weight of 3591.05 g/mol. Its IUPAC name is [4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;(4-ethyl-6-phenyl-3-pyridinyl)-trimethylsilane;pentakis(iridium);tetrakis(2-phenyl-6-phenylpyridine);2-phenyl-3-(4-propan-2-ylphenyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane.
| Compound Name | [4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;(4-ethyl-6-phenyl-3-pyridinyl)-trimethylsilane;pentakis(iridium);tetrakis(2-phenyl-6-phenylpyridine);2-phenyl-3-(4-propan-2-ylphenyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane |
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| PubChem CID | 162205540 |
| Molecular Formula | C180H186Ir5N10Si5-10 |
| Molecular Weight | 3591.05 g/mol |
| Exact Mass | 3592.19 |
| IUPAC Name | [4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;(4-ethyl-6-phenyl-3-pyridinyl)-trimethylsilane;pentakis(iridium);tetrakis(2-phenyl-6-phenylpyridine);2-phenyl-3-(4-propan-2-ylphenyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane |
| SMILES | CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)c1ccc(-c2cccnc2-c2[c-]cccc2)cc1.CCc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CC2CCC1C2.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cccc(-c2ccccc2)n1.[c-]1ccccc1-c1cccc(-c2ccccc2)n1.[c-]1ccccc1-c1cccc(-c2ccccc2)n1.[c-]1ccccc1-c1cccc(-c2ccccc2)n1 |
| InChI | InChI=1S/C22H28NSi.C20H18N.C19H26NSi.C18H24NSi.C17H22NSi.4C17H12N.C16H20NSi.5Ir/c1-24(2,3)22-15-23-21(17-7-5-4-6-8-17)14-20(22)13-19-12-16-9-10-18(19)11-16;1-15(2)16-10-12-17(13-11-16)19-9-6-14-21-20(19)18-7-4-3-5-8-18;1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;1-14(2)11-16-12-17(15-9-7-6-8-10-15)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;4*1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;1-5-13-11-15(14-9-7-6-8-10-14)17-12-16(13)18(2,3)4;;;;;/h4-7,14-16,18-19H,9-13H2,1-3H3;3-7,9-15H,1-2H3;7-10,12,14H,13H2,1-6H3;6-9,12-14H,11H2,1-5H3;6-9,11-13H,1-5H3;4*1-10,12-13H;6-9,11-12H,5H2,1-4H3;;;;;/q10*-1;;;;; |
| InChIKey | MYRJUGZICLZYGS-UHFFFAOYSA-N |
| XLogP | 44.11 |
| TPSA | 128.90 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 200 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3591.05 |
| LogP ≤ 5 | 44.11 |
| 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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