C207H238F12Ir4N8O8Si4-8 — CID 159107853
6-cyclopentyl-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;tetrakis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);2-phenylpyridine (PubChem CID 159107853) has the molecular formula C207H238F12Ir4N8O8Si4-8 and a molecular weight of 4075.42 g/mol. Its IUPAC name is 6-cyclopentyl-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;tetrakis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);2-phenylpyridine.
| Compound Name | 6-cyclopentyl-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;tetrakis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);2-phenylpyridine |
|---|---|
| PubChem CID | 159107853 |
| Molecular Formula | C207H238F12Ir4N8O8Si4-8 |
| Molecular Weight | 4075.42 g/mol |
| Exact Mass | 4075.59 |
| IUPAC Name | 6-cyclopentyl-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;tetrakis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);2-phenylpyridine |
| SMILES | CCC(CC)C(=O)C=C(O)C(CC)CC(F)(F)F.CCC(CC)C(=O)C=C(O)C(CC)CC(F)(F)F.CCC(CC)C(=O)C=C(O)C(CC)CC(F)(F)F.CCC(CC)C(=O)C=C(O)C(CC)CC(F)(F)F.Cc1[c-]c(-c2ccc3ccccc3n2)cc(C)c1.Cc1[c-]c(-c2nccc3cc(C(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc(C4CCCC4)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc([Si](C)(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc([Si](C)(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc([Si](C)(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc([Si](C)(C)c4ccccc4)ccc23)cc(C)c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1 |
| InChI | InChI=1S/C25H24NSi.C22H22N.3C20H22NSi.C20H20N.C17H14N.4C13H21F3O2.C11H8N.4Ir/c1-18-14-19(2)16-21(15-18)25-24-11-10-23(17-20(24)12-13-26-25)27(3,4)22-8-6-5-7-9-22;1-15-11-16(2)13-20(12-15)22-21-8-7-18(17-5-3-4-6-17)14-19(21)9-10-23-22;3*1-14-10-15(2)12-17(11-14)20-19-7-6-18(22(3,4)5)13-16(19)8-9-21-20;1-13(2)16-5-6-19-17(12-16)7-8-21-20(19)18-10-14(3)9-15(4)11-18;1-12-9-13(2)11-15(10-12)17-8-7-14-5-3-4-6-16(14)18-17;4*1-4-9(5-2)11(17)7-12(18)10(6-3)8-13(14,15)16;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h5-15,17H,1-4H3;7-12,14,17H,3-6H2,1-2H3;3*6-11,13H,1-5H3;5-10,12-13H,1-4H3;3-10H,1-2H3;4*7,9-10,18H,4-6,8H2,1-3H3;1-6,8-9H;;;;/q7*-1;;;;;-1;;;; |
| InChIKey | HPQZLZHXAHPOJG-UHFFFAOYSA-N |
| XLogP | 55.66 |
| TPSA | 252.32 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 43 |
| Heavy Atoms | 243 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4075.42 |
| LogP ≤ 5 | 55.66 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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