C157H162Ir4N8Si4-8 — CID 163931023
bis(4-benzyl-5-methyl-2-phenylpyridine);4-benzyl-5-phenyl-2-phenylpyridine;tetrakis(iridium);3-methyl-2-phenyl-5-(2-phenylpropan-2-yl)pyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane (PubChem CID 163931023) has the molecular formula C157H162Ir4N8Si4-8 and a molecular weight of 3042.29 g/mol. Its IUPAC name is bis(4-benzyl-5-methyl-2-phenylpyridine);4-benzyl-5-phenyl-2-phenylpyridine;tetrakis(iridium);3-methyl-2-phenyl-5-(2-phenylpropan-2-yl)pyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane.
| Compound Name | bis(4-benzyl-5-methyl-2-phenylpyridine);4-benzyl-5-phenyl-2-phenylpyridine;tetrakis(iridium);3-methyl-2-phenyl-5-(2-phenylpropan-2-yl)pyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane |
|---|---|
| PubChem CID | 163931023 |
| Molecular Formula | C157H162Ir4N8Si4-8 |
| Molecular Weight | 3042.29 g/mol |
| Exact Mass | 3043.06 |
| IUPAC Name | bis(4-benzyl-5-methyl-2-phenylpyridine);4-benzyl-5-phenyl-2-phenylpyridine;tetrakis(iridium);3-methyl-2-phenyl-5-(2-phenylpropan-2-yl)pyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane |
| SMILES | CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)c1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Si](C)(C)C.Cc1c[c-]c(-c2cc(C(C)C)c([Si](C)(C)C)cn2)cc1.Cc1c[c-]c(-c2ccc([Si](C)(C)C)cn2)cc1.Cc1cc(C(C)(C)c2ccccc2)cnc1-c1[c-]cccc1.Cc1cnc(-c2[c-]cccc2)cc1Cc1ccccc1.Cc1cnc(-c2[c-]cccc2)cc1Cc1ccccc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(Cc2ccccc2)c(-c2ccccc2)cn1 |
| InChI | InChI=1S/C24H18N.C23H26NSi.C21H20N.2C19H16N.2C18H24NSi.C15H18NSi.4Ir/c1-4-10-19(11-5-1)16-22-17-24(21-14-8-3-9-15-21)25-18-23(22)20-12-6-2-7-13-20;1-17(2)21-15-22(24-16-23(21)25(3,4)5)20-13-9-12-19(14-20)18-10-7-6-8-11-18;1-16-14-19(21(2,3)18-12-8-5-9-13-18)15-22-20(16)17-10-6-4-7-11-17;2*1-15-14-20-19(17-10-6-3-7-11-17)13-18(15)12-16-8-4-2-5-9-16;1-13(2)16-11-17(15-9-7-14(3)8-10-15)19-12-18(16)20(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;1-12-5-7-13(8-6-12)15-10-9-14(11-16-15)17(2,3)4;;;;/h1-14,17-18H,16H2;6-12,14-17H,1-5H3;4-10,12-15H,1-3H3;2*2-10,13-14H,12H2,1H3;7-9,11-13H,1-6H3;6-9,12-14H,11H2,1-5H3;5-7,9-11H,1-4H3;;;;/q8*-1;;;; |
| InChIKey | JMBTZMMDVGNLPL-UHFFFAOYSA-N |
| XLogP | 37.98 |
| TPSA | 103.12 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 173 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3042.29 |
| LogP ≤ 5 | 37.98 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|