C176H166Ir4N10OSSi4-8 — CID 158344653
(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;[4-(3,3-dimethylbutan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;tetrakis(iridium);2-(7-methyl-2H-dibenzothiophen-2-id-1-yl)-4-phenylpyridine;2-(2H-phenanthren-2-id-3-yl)-4-phenylpyridine;9-phenyl-3-(4-phenyl-2-pyridinyl)-2H-carbazol-2-ide;4-(4-phenyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (PubChem CID 158344653) has the molecular formula C176H166Ir4N10OSSi4-8 and a molecular weight of 3350.61 g/mol. Its IUPAC name is (4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;[4-(3,3-dimethylbutan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;tetrakis(iridium);2-(7-methyl-2H-dibenzothiophen-2-id-1-yl)-4-phenylpyridine;2-(2H-phenanthren-2-id-3-yl)-4-phenylpyridine;9-phenyl-3-(4-phenyl-2-pyridinyl)-2H-carbazol-2-ide;4-(4-phenyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.
| Compound Name | (4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;[4-(3,3-dimethylbutan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;tetrakis(iridium);2-(7-methyl-2H-dibenzothiophen-2-id-1-yl)-4-phenylpyridine;2-(2H-phenanthren-2-id-3-yl)-4-phenylpyridine;9-phenyl-3-(4-phenyl-2-pyridinyl)-2H-carbazol-2-ide;4-(4-phenyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane |
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| PubChem CID | 158344653 |
| Molecular Formula | C176H166Ir4N10OSSi4-8 |
| Molecular Weight | 3350.61 g/mol |
| Exact Mass | 3351.06 |
| IUPAC Name | (4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;[4-(3,3-dimethylbutan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;tetrakis(iridium);2-(7-methyl-2H-dibenzothiophen-2-id-1-yl)-4-phenylpyridine;2-(2H-phenanthren-2-id-3-yl)-4-phenylpyridine;9-phenyl-3-(4-phenyl-2-pyridinyl)-2H-carbazol-2-ide;4-(4-phenyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-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(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)(C)C.C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1C1CCCC1.Cc1ccc2c(c1)sc1cc[c-]c(-c3cc(-c4ccccc4)ccn3)c12.[Ir].[Ir].[Ir].[Ir].[c-]1cc2c(cc1-c1cc(-c3ccccc3)ccn1)c1ccccc1n2-c1ccccc1.[c-]1cc2ccc3ccccc3c2cc1-c1cc(-c2ccccc2)ccn1.[c-]1ncc2c(oc3ccccc32)c1-c1cc(-c2ccccc2)ccn1 |
| InChI | InChI=1S/C29H19N2.C25H16N.C24H16NS.C22H13N2O.C20H28NSi.C19H24NSi.C19H26NSi.C18H24NSi.4Ir/c1-3-9-21(10-4-1)22-17-18-30-27(20-22)23-15-16-29-26(19-23)25-13-7-8-14-28(25)31(29)24-11-5-2-6-12-24;1-2-6-18(7-3-1)21-14-15-26-25(17-21)22-13-12-20-11-10-19-8-4-5-9-23(19)24(20)16-22;1-16-10-11-20-23(14-16)26-22-9-5-8-19(24(20)22)21-15-18(12-13-25-21)17-6-3-2-4-7-17;1-2-6-15(7-3-1)16-10-11-24-20(12-16)19-14-23-13-18-17-8-4-5-9-21(17)25-22(18)19;1-15(20(2,3)4)17-13-18(16-11-9-8-10-12-16)21-14-19(17)22(5,6)7;1-21(2,3)19-14-20-18(16-11-5-4-6-12-16)13-17(19)15-9-7-8-10-15;1-19(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;;;;/h1-14,16-20H;1-12,14-17H;2-7,9-15H,1H3;1-13H;8-11,13-15H,1-7H3;4-6,11,13-15H,7-10H2,1-3H3;7-10,12,14H,13H2,1-6H3;6-9,12-14H,11H2,1-5H3;;;;/q8*-1;;;; |
| InChIKey | RTEHTLXAJMMHJV-UHFFFAOYSA-N |
| XLogP | 45.20 |
| TPSA | 134.08 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 196 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3350.61 |
| LogP ≤ 5 | 45.20 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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