C175H178Ir4N8O2Si5-8 — CID 163659688
[2-(2-benzylbenzene-6-id-1-yl)-4-pyridinyl]-trimethylsilane;4-benzyl-2-(3-tert-butylbenzene-6-id-1-yl)pyridine;4-(cyclohexylmethyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;tetrakis(iridium);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-[2-(1-phenylethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-[6-[2-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-[3-(2-phenylpropan-2-yl)-4-pyridin-2-ylbenzene-5-id-1-yl]silane (PubChem CID 163659688) has the molecular formula C175H178Ir4N8O2Si5-8 and a molecular weight of 3334.70 g/mol. Its IUPAC name is [2-(2-benzylbenzene-6-id-1-yl)-4-pyridinyl]-trimethylsilane;4-benzyl-2-(3-tert-butylbenzene-6-id-1-yl)pyridine;4-(cyclohexylmethyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;tetrakis(iridium);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-[2-(1-phenylethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-[6-[2-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-[3-(2-phenylpropan-2-yl)-4-pyridin-2-ylbenzene-5-id-1-yl]silane.
| Compound Name | [2-(2-benzylbenzene-6-id-1-yl)-4-pyridinyl]-trimethylsilane;4-benzyl-2-(3-tert-butylbenzene-6-id-1-yl)pyridine;4-(cyclohexylmethyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;tetrakis(iridium);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-[2-(1-phenylethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-[6-[2-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-[3-(2-phenylpropan-2-yl)-4-pyridin-2-ylbenzene-5-id-1-yl]silane |
|---|---|
| PubChem CID | 163659688 |
| Molecular Formula | C175H178Ir4N8O2Si5-8 |
| Molecular Weight | 3334.70 g/mol |
| Exact Mass | 3335.15 |
| IUPAC Name | [2-(2-benzylbenzene-6-id-1-yl)-4-pyridinyl]-trimethylsilane;4-benzyl-2-(3-tert-butylbenzene-6-id-1-yl)pyridine;4-(cyclohexylmethyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;tetrakis(iridium);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-[2-(1-phenylethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-[6-[2-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-[3-(2-phenylpropan-2-yl)-4-pyridin-2-ylbenzene-5-id-1-yl]silane |
| SMILES | CC(C)(C)c1cc[c-]c(-c2cc(Cc3ccccc3)ccn2)c1.CC(C)(c1ccccc1)c1cc([Si](C)(C)C)c[c-]c1-c1ccccn1.CC(C)(c1ccccc1)c1ccc[c-]c1-c1ccc([Si](C)(C)C)cn1.CC(C)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.CC(c1ccccc1)c1ccc[c-]c1-c1ccc([Si](C)(C)C)cn1.C[Si](C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.C[Si](C)(C)c1ccnc(-c2[c-]cccc2Cc2ccccc2)c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1cc(CC2CCCCC2)ccn1 |
| InChI | InChI=1S/C24H22NO.2C23H26NSi.C22H24NSi.C22H22N.C21H22NSi.C20H16NO.C20H20NSi.4Ir/c1-2-7-17(8-3-1)15-18-13-14-25-22(16-18)21-11-6-10-20-19-9-4-5-12-23(19)26-24(20)21;1-23(2,18-11-7-6-8-12-18)21-17-19(25(3,4)5)14-15-20(21)22-13-9-10-16-24-22;1-23(2,18-11-7-6-8-12-18)21-14-10-9-13-20(21)22-16-15-19(17-24-22)25(3,4)5;1-17(18-10-6-5-7-11-18)20-12-8-9-13-21(20)22-15-14-19(16-23-22)24(2,3)4;1-22(2,3)20-11-7-10-19(16-20)21-15-18(12-13-23-21)14-17-8-5-4-6-9-17;1-23(2,3)19-13-14-22-21(16-19)20-12-8-7-11-18(20)15-17-9-5-4-6-10-17;1-13(2)14-10-11-21-18(12-14)17-8-5-7-16-15-6-3-4-9-19(15)22-20(16)17;1-22(2,3)19-12-13-20(21-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;;;;/h4-6,9-10,12-14,16-17H,1-3,7-8,15H2;6-14,16-17H,1-5H3;6-12,14-17H,1-5H3;5-12,14-17H,1-4H3;4-9,11-13,15-16H,14H2,1-3H3;4-11,13-14,16H,15H2,1-3H3;3-7,9-13H,1-2H3;4-10,12-15H,1-3H3;;;;/q8*-1;;;; |
| InChIKey | JDCAKKVDZRUSDM-UHFFFAOYSA-N |
| XLogP | 43.10 |
| TPSA | 129.40 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 194 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3334.70 |
| LogP ≤ 5 | 43.10 |
| 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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