C160H168Ir4N8S4Si4-8 — CID 158236370
[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine) (PubChem CID 158236370) has the molecular formula C160H168Ir4N8S4Si4-8 and a molecular weight of 3212.64 g/mol. Its IUPAC name is [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine).
| Compound Name | [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine) |
|---|---|
| PubChem CID | 158236370 |
| Molecular Formula | C160H168Ir4N8S4Si4-8 |
| Molecular Weight | 3212.64 g/mol |
| Exact Mass | 3212.99 |
| IUPAC Name | [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine) |
| SMILES | CC(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc2c(c1)sc1c(-c3ccc(C4CCCCC4)cn3)[c-]ccc12.C[Si](C)(C)c1ccc2sc3c(-c4ccc(C5CCCCC5)cn4)[c-]ccc3c2c1.C[Si](C)(C)c1cccc2c1sc1c(-c3ccc(C4CCCCC4)cn3)[c-]ccc12.C[Si](C)(C)c1cccc2sc3c(-c4ccc(C5CCCCC5)cn4)[c-]ccc3c12.[Ir].[Ir].[Ir].[Ir] |
| InChI | InChI=1S/4C26H28NSSi.4C14H14N.4Ir/c1-29(2,3)24-14-8-12-21-20-11-7-13-22(25(20)28-26(21)24)23-16-15-19(17-27-23)18-9-5-4-6-10-18;1-29(2,3)24-14-8-13-23-25(24)21-12-7-11-20(26(21)28-23)22-16-15-19(17-27-22)18-9-5-4-6-10-18;1-29(2,3)20-13-14-21-22-10-7-11-23(26(22)28-25(21)16-20)24-15-12-19(17-27-24)18-8-5-4-6-9-18;1-29(2,3)20-13-15-25-23(16-20)21-10-7-11-22(26(21)28-25)24-14-12-19(17-27-24)18-8-5-4-6-9-18;4*1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;;;;/h7-8,11-12,14-18H,4-6,9-10H2,1-3H3;7-8,12-18H,4-6,9-10H2,1-3H3;2*7,10,12-18H,4-6,8-9H2,1-3H3;4*3-6,8-11H,1-2H3;;;;/q8*-1;;;; |
| InChIKey | UVEHTMJCIGZHQV-UHFFFAOYSA-N |
| XLogP | 44.72 |
| TPSA | 103.12 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 180 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3212.64 |
| LogP ≤ 5 | 44.72 |
| 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'} |
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