C163H177Ir4N13Si4-8 — CID 158177734
[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;5-(1-cyclopentylethyl)-2-(6-methyl-2H-pyridin-2-id-3-yl)-4-phenylpyridine;[4-(1-cyclopentylethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;tetrakis(iridium);5-methyl-4-phenyl-2-(2H-pyridin-2-id-3-yl)pyridine;5-methyl-4-phenyl-2-(3H-pyridin-3-id-4-yl)pyridine;2-phenyl-4-(4-phenyl-5-propan-2-yl-2-pyridinyl)-5H-pyrimidin-5-ide (PubChem CID 158177734) has the molecular formula C163H177Ir4N13Si4-8 and a molecular weight of 3199.51 g/mol. Its IUPAC name is [4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;5-(1-cyclopentylethyl)-2-(6-methyl-2H-pyridin-2-id-3-yl)-4-phenylpyridine;[4-(1-cyclopentylethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;tetrakis(iridium);5-methyl-4-phenyl-2-(2H-pyridin-2-id-3-yl)pyridine;5-methyl-4-phenyl-2-(3H-pyridin-3-id-4-yl)pyridine;2-phenyl-4-(4-phenyl-5-propan-2-yl-2-pyridinyl)-5H-pyrimidin-5-ide.
| Compound Name | [4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;5-(1-cyclopentylethyl)-2-(6-methyl-2H-pyridin-2-id-3-yl)-4-phenylpyridine;[4-(1-cyclopentylethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;tetrakis(iridium);5-methyl-4-phenyl-2-(2H-pyridin-2-id-3-yl)pyridine;5-methyl-4-phenyl-2-(3H-pyridin-3-id-4-yl)pyridine;2-phenyl-4-(4-phenyl-5-propan-2-yl-2-pyridinyl)-5H-pyrimidin-5-ide |
|---|---|
| PubChem CID | 158177734 |
| Molecular Formula | C163H177Ir4N13Si4-8 |
| Molecular Weight | 3199.51 g/mol |
| Exact Mass | 3200.19 |
| IUPAC Name | [4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;5-(1-cyclopentylethyl)-2-(6-methyl-2H-pyridin-2-id-3-yl)-4-phenylpyridine;[4-(1-cyclopentylethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;tetrakis(iridium);5-methyl-4-phenyl-2-(2H-pyridin-2-id-3-yl)pyridine;5-methyl-4-phenyl-2-(3H-pyridin-3-id-4-yl)pyridine;2-phenyl-4-(4-phenyl-5-propan-2-yl-2-pyridinyl)-5H-pyrimidin-5-ide |
| SMILES | CC(C)c1cnc(-c2[c-]cnc(-c3ccccc3)n2)cc1-c1ccccc1.CC(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C1CCCC1.C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1C1CCCC1.C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCC1.C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCCC1.Cc1ccc(-c2cc(-c3ccccc3)c(C(C)C3CCCC3)cn2)[c-]n1.Cc1cnc(-c2[c-]cncc2)cc1-c1ccccc1.Cc1cnc(-c2[c-]nccc2)cc1-c1ccccc1.[Ir].[Ir].[Ir].[Ir] |
| InChI | InChI=1S/C24H20N3.C24H25N2.2C21H28NSi.C20H26NSi.C19H24NSi.2C17H13N2.4Ir/c1-17(2)21-16-26-23(15-20(21)18-9-5-3-6-10-18)22-13-14-25-24(27-22)19-11-7-4-8-12-19;1-17-12-13-21(15-25-17)24-14-22(20-10-4-3-5-11-20)23(16-26-24)18(2)19-8-6-7-9-19;1-16(17-10-8-9-11-17)19-14-20(18-12-6-5-7-13-18)22-15-21(19)23(2,3)4;1-23(2,3)21-16-22-20(18-12-8-5-9-13-18)15-19(21)14-17-10-6-4-7-11-17;1-22(2,3)20-15-21-19(17-11-5-4-6-12-17)14-18(20)13-16-9-7-8-10-16;1-21(2,3)19-14-20-18(16-11-5-4-6-12-16)13-17(19)15-9-7-8-10-15;1-13-11-19-17(15-8-5-9-18-12-15)10-16(13)14-6-3-2-4-7-14;1-13-12-19-17(15-7-9-18-10-8-15)11-16(13)14-5-3-2-4-6-14;;;;/h3-12,14-17H,1-2H3;3-5,10-14,16,18-19H,6-9H2,1-2H3;5-7,12,14-17H,8-11H2,1-4H3;5,8-9,12,15-17H,4,6-7,10-11,14H2,1-3H3;4-6,11,14-16H,7-10,13H2,1-3H3;4-6,11,13-15H,7-10H2,1-3H3;2-11H,1H3;2-7,9-12H,1H3;;;;/q8*-1;;;; |
| InChIKey | NPHOJJCELKCJTL-UHFFFAOYSA-N |
| XLogP | 40.02 |
| TPSA | 167.57 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 184 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3199.51 |
| LogP ≤ 5 | 40.02 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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