C168H195F3Ir5N10Si10-10 — CID 158019533
(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;pentakis(iridium);trimethyl-[5-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;tetrakis(trimethyl-(2-phenyl-4-pyridinyl)silane);trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane (PubChem CID 158019533) has the molecular formula C168H195F3Ir5N10Si10-10 and a molecular weight of 3653.42 g/mol. Its IUPAC name is (4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;pentakis(iridium);trimethyl-[5-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;tetrakis(trimethyl-(2-phenyl-4-pyridinyl)silane);trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane.
| Compound Name | (4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;pentakis(iridium);trimethyl-[5-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;tetrakis(trimethyl-(2-phenyl-4-pyridinyl)silane);trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane |
|---|---|
| PubChem CID | 158019533 |
| Molecular Formula | C168H195F3Ir5N10Si10-10 |
| Molecular Weight | 3653.42 g/mol |
| Exact Mass | 3654.14 |
| IUPAC Name | (4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;pentakis(iridium);trimethyl-[5-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;tetrakis(trimethyl-(2-phenyl-4-pyridinyl)silane);trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane |
| SMILES | CC(C)Cc1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Si](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.C[Si](C)(C)c1ccc(-c2[c-]cc(C(F)(F)F)cc2)nc1.C[Si](C)(C)c1ccnc(-c2[c-]cccc2)c1.C[Si](C)(C)c1ccnc(-c2[c-]cccc2)c1.C[Si](C)(C)c1ccnc(-c2[c-]cccc2)c1.C[Si](C)(C)c1ccnc(-c2[c-]cccc2)c1.C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1C1CCCC1.Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc([Si](C)(C)C)cnc1-c1[c-]ccc(-c2ccccc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir] |
| InChI | InChI=1S/C24H28NSi.C21H22NSi.C19H24NSi.C18H24NSi.C15H15F3NSi.C15H18NSi.4C14H16NSi.5Ir/c1-18(2)14-22-16-23(25-17-24(22)26(3,4)5)21-13-9-12-20(15-21)19-10-7-6-8-11-19;1-16-13-20(23(2,3)4)15-22-21(16)19-12-8-11-18(14-19)17-9-6-5-7-10-17;1-21(2,3)19-14-20-18(16-11-5-4-6-12-16)13-17(19)15-9-7-8-10-15;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;1-20(2,3)13-8-9-14(19-10-13)11-4-6-12(7-5-11)15(16,17)18;1-12-10-14(13-8-6-5-7-9-13)16-11-15(12)17(2,3)4;4*1-16(2,3)13-9-10-15-14(11-13)12-7-5-4-6-8-12;;;;;/h6-12,15-18H,14H2,1-5H3;5-11,13-15H,1-4H3;4-6,11,13-15H,7-10H2,1-3H3;6-9,12-14H,11H2,1-5H3;4,6-10H,1-3H3;5-8,10-11H,1-4H3;4*4-7,9-11H,1-3H3;;;;;/q10*-1;;;;; |
| InChIKey | GCTSJBUBJZXGGF-UHFFFAOYSA-N |
| XLogP | 39.95 |
| TPSA | 128.90 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 196 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3653.42 |
| LogP ≤ 5 | 39.95 |
| 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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