C183H176Ir5N10S5Si5-10 — CID 162201721
[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(4-cyclopropyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);pentakis(2-phenyl-5-(trideuteriomethyl)pyridine) (PubChem CID 162201721) has the molecular formula C183H176Ir5N10S5Si5-10 and a molecular weight of 3792.43 g/mol. Its IUPAC name is [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(4-cyclopropyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);pentakis(2-phenyl-5-(trideuteriomethyl)pyridine).
| Compound Name | [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(4-cyclopropyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);pentakis(2-phenyl-5-(trideuteriomethyl)pyridine) |
|---|---|
| PubChem CID | 162201721 |
| Molecular Formula | C183H176Ir5N10S5Si5-10 |
| Molecular Weight | 3792.43 g/mol |
| Exact Mass | 3793.07 |
| IUPAC Name | [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;[4-(4-cyclopropyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);pentakis(2-phenyl-5-(trideuteriomethyl)pyridine) |
| SMILES | C[Si](C)(C)c1c[c-]c(-c2cc(C3CC3)ccn2)c2sc3ccccc3c12.C[Si](C)(C)c1ccc2c(c1)sc1c(-c3cc(C4CCCC4)ccn3)[c-]ccc12.C[Si](C)(C)c1ccc2sc3c(-c4cc(C5CCCC5)ccn4)[c-]ccc3c2c1.C[Si](C)(C)c1cccc2c1sc1c(-c3cc(C4CCCC4)ccn3)[c-]ccc12.C[Si](C)(C)c1cccc2sc3c(-c4cc(C5CCCC5)ccn4)[c-]ccc3c12.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[Ir] |
| InChI | InChI=1S/4C25H26NSSi.C23H22NSSi.5C12H10N.5Ir/c1-28(2,3)23-13-7-11-20-19-10-6-12-21(24(19)27-25(20)23)22-16-18(14-15-26-22)17-8-4-5-9-17;1-28(2,3)23-13-7-12-22-24(23)20-11-6-10-19(25(20)27-22)21-16-18(14-15-26-21)17-8-4-5-9-17;1-28(2,3)19-11-12-20-21-9-6-10-22(25(21)27-24(20)16-19)23-15-18(13-14-26-23)17-7-4-5-8-17;1-28(2,3)19-11-12-24-22(16-19)20-9-6-10-21(25(20)27-24)23-15-18(13-14-26-23)17-7-4-5-8-17;1-26(2,3)21-11-10-17(19-14-16(12-13-24-19)15-8-9-15)23-22(21)18-6-4-5-7-20(18)25-23;5*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;;/h6-7,10-11,13-17H,4-5,8-9H2,1-3H3;6-7,11-17H,4-5,8-9H2,1-3H3;2*6,9,11-17H,4-5,7-8H2,1-3H3;4-7,11-15H,8-9H2,1-3H3;5*2-5,7-9H,1H3;;;;;/q10*-1;;;;;/i;;;;;5*1D3;;;;; |
| InChIKey | ICDOWYSPMXMANM-HMSQWINUSA-N |
| XLogP | 49.09 |
| TPSA | 128.90 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 208 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3792.43 |
| LogP ≤ 5 | 49.09 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|