C157H158Ir10N10O10-10 — CID 159086281
2-(2-ethoxybenzene-6-id-1-yl)-3-methylpyridine;2-(2-ethoxy-3-methylbenzene-6-id-1-yl)-3-methylpyridine;decakis(iridium);2-(2-methoxybenzene-6-id-1-yl)-3-methylpyridine;2-(2-methoxy-3-methylbenzene-6-id-1-yl)-3-methylpyridine;3-methyl-2-[3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene-6-id-1-yl]pyridine;3-methyl-2-(3-methyl-2-phenoxybenzene-6-id-1-yl)pyridine;3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]benzene-6-id-1-yl]pyridine;3-methyl-2-(3-methyl-2-propan-2-yloxybenzene-6-id-1-yl)pyridine;3-methyl-2-(2-phenoxybenzene-6-id-1-yl)pyridine;3-methyl-2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine (PubChem CID 159086281) has the molecular formula C157H158Ir10N10O10-10 and a molecular weight of 4267.22 g/mol. Its IUPAC name is 2-(2-ethoxybenzene-6-id-1-yl)-3-methylpyridine;2-(2-ethoxy-3-methylbenzene-6-id-1-yl)-3-methylpyridine;decakis(iridium);2-(2-methoxybenzene-6-id-1-yl)-3-methylpyridine;2-(2-methoxy-3-methylbenzene-6-id-1-yl)-3-methylpyridine;3-methyl-2-[3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene-6-id-1-yl]pyridine;3-methyl-2-(3-methyl-2-phenoxybenzene-6-id-1-yl)pyridine;3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]benzene-6-id-1-yl]pyridine;3-methyl-2-(3-methyl-2-propan-2-yloxybenzene-6-id-1-yl)pyridine;3-methyl-2-(2-phenoxybenzene-6-id-1-yl)pyridine;3-methyl-2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine.
| Compound Name | 2-(2-ethoxybenzene-6-id-1-yl)-3-methylpyridine;2-(2-ethoxy-3-methylbenzene-6-id-1-yl)-3-methylpyridine;decakis(iridium);2-(2-methoxybenzene-6-id-1-yl)-3-methylpyridine;2-(2-methoxy-3-methylbenzene-6-id-1-yl)-3-methylpyridine;3-methyl-2-[3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene-6-id-1-yl]pyridine;3-methyl-2-(3-methyl-2-phenoxybenzene-6-id-1-yl)pyridine;3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]benzene-6-id-1-yl]pyridine;3-methyl-2-(3-methyl-2-propan-2-yloxybenzene-6-id-1-yl)pyridine;3-methyl-2-(2-phenoxybenzene-6-id-1-yl)pyridine;3-methyl-2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine |
|---|---|
| PubChem CID | 159086281 |
| Molecular Formula | C157H158Ir10N10O10-10 |
| Molecular Weight | 4267.22 g/mol |
| Exact Mass | 4272.85 |
| IUPAC Name | 2-(2-ethoxybenzene-6-id-1-yl)-3-methylpyridine;2-(2-ethoxy-3-methylbenzene-6-id-1-yl)-3-methylpyridine;decakis(iridium);2-(2-methoxybenzene-6-id-1-yl)-3-methylpyridine;2-(2-methoxy-3-methylbenzene-6-id-1-yl)-3-methylpyridine;3-methyl-2-[3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene-6-id-1-yl]pyridine;3-methyl-2-(3-methyl-2-phenoxybenzene-6-id-1-yl)pyridine;3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]benzene-6-id-1-yl]pyridine;3-methyl-2-(3-methyl-2-propan-2-yloxybenzene-6-id-1-yl)pyridine;3-methyl-2-(2-phenoxybenzene-6-id-1-yl)pyridine;3-methyl-2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine |
| SMILES | CCOc1c(-c2ncccc2C)[c-]ccc1C.CCOc1ccc[c-]c1-c1ncccc1C.COc1c(-c2ncccc2C)[c-]ccc1C.COc1ccc[c-]c1-c1ncccc1C.Cc1cccnc1-c1[c-]ccc(C)c1OC(C)(C)C.Cc1cccnc1-c1[c-]ccc(C)c1OC(C)C.Cc1cccnc1-c1[c-]ccc(C)c1Oc1ccccc1.Cc1cccnc1-c1[c-]cccc1OC(C)(C)C.Cc1cccnc1-c1[c-]cccc1OC(C)C.Cc1cccnc1-c1[c-]cccc1Oc1ccccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir] |
| InChI | InChI=1S/C19H16NO.C18H14NO.C17H20NO.2C16H18NO.2C15H16NO.2C14H14NO.C13H12NO.10Ir/c1-14-9-7-13-20-18(14)17-12-6-8-15(2)19(17)21-16-10-4-3-5-11-16;1-14-8-7-13-19-18(14)16-11-5-6-12-17(16)20-15-9-3-2-4-10-15;1-12-9-7-11-18-15(12)14-10-6-8-13(2)16(14)19-17(3,4)5;1-11(2)18-16-13(4)7-5-9-14(16)15-12(3)8-6-10-17-15;1-12-8-7-11-17-15(12)13-9-5-6-10-14(13)18-16(2,3)4;1-11(2)17-14-9-5-4-8-13(14)15-12(3)7-6-10-16-15;1-4-17-15-12(3)7-5-9-13(15)14-11(2)8-6-10-16-14;1-10-7-5-9-15-13(10)12-8-4-6-11(2)14(12)16-3;1-3-16-13-9-5-4-8-12(13)14-11(2)7-6-10-15-14;1-10-6-5-9-14-13(10)11-7-3-4-8-12(11)15-2;;;;;;;;;;/h3-11,13H,1-2H3;2-10,12-13H,1H3;6-9,11H,1-5H3;2*5-8,10-11H,1-4H3;4-7,9-11H,1-3H3;5-8,10H,4H2,1-3H3;4-7,9H,1-3H3;4-7,9-10H,3H2,1-2H3;3-6,8-9H,1-2H3;;;;;;;;;;/q10*-1;;;;;;;;;; |
| InChIKey | XDIMYCCOPJGESS-UHFFFAOYSA-N |
| XLogP | 38.42 |
| TPSA | 221.20 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 187 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4267.22 |
| LogP ≤ 5 | 38.42 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|