C160H167FGeIr4N8Si-8 — CID 163774129
4-[cyclohexyl(dideuterio)methyl]-2-[3-[2-(4-methylphenyl)propan-2-yl]benzene-6-id-1-yl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-phenyl-5-(trideuteriomethyl)pyridine;bis(4-(2-deuteriopropan-2-yl)-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine);4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);4-phenyl-2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane (PubChem CID 163774129) has the molecular formula C160H167FGeIr4N8Si-8 and a molecular weight of 3105.81 g/mol. Its IUPAC name is 4-[cyclohexyl(dideuterio)methyl]-2-[3-[2-(4-methylphenyl)propan-2-yl]benzene-6-id-1-yl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-phenyl-5-(trideuteriomethyl)pyridine;bis(4-(2-deuteriopropan-2-yl)-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine);4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);4-phenyl-2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane.
| Compound Name | 4-[cyclohexyl(dideuterio)methyl]-2-[3-[2-(4-methylphenyl)propan-2-yl]benzene-6-id-1-yl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-phenyl-5-(trideuteriomethyl)pyridine;bis(4-(2-deuteriopropan-2-yl)-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine);4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);4-phenyl-2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane |
|---|---|
| PubChem CID | 163774129 |
| Molecular Formula | C160H167FGeIr4N8Si-8 |
| Molecular Weight | 3105.81 g/mol |
| Exact Mass | 3108.18 |
| IUPAC Name | 4-[cyclohexyl(dideuterio)methyl]-2-[3-[2-(4-methylphenyl)propan-2-yl]benzene-6-id-1-yl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-phenyl-5-(trideuteriomethyl)pyridine;bis(4-(2-deuteriopropan-2-yl)-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine);4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);4-phenyl-2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane |
| SMILES | CC(C)(c1ccccc1)c1cc[c-]c(-c2cc(F)ccn2)c1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C(C)(C)c1ccnc(-c2[c-]ccc(C(C)(C)c3ccccc3)c2)c1.[2H]C(C)(C)c1ccnc(-c2[c-]ccc(C(C)(C)c3ccccc3)c2)c1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1-c1ccccc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C([2H])([2H])C1CCCCC1.[2H]C([2H])(c1ccnc(-c2[c-]ccc(C(C)(C)c3ccc(C)cc3)c2)c1)C1CCCCC1.[Ir].[Ir].[Ir].[Ir] |
| InChI | InChI=1S/C28H32N.2C23H24N.C20H17FN.C19H22N.C18H14N.C15H18GeN.C14H16NSi.4Ir/c1-21-12-14-25(15-13-21)28(2,3)26-11-7-10-24(20-26)27-19-23(16-17-29-27)18-22-8-5-4-6-9-22;2*1-17(2)18-13-14-24-22(16-18)19-9-8-12-21(15-19)23(3,4)20-10-6-5-7-11-20;1-20(2,16-8-4-3-5-9-16)17-10-6-7-15(13-17)19-14-18(21)11-12-22-19;1-15-14-20-19(17-10-6-3-7-11-17)13-18(15)12-16-8-4-2-5-9-16;1-14-13-19-18(16-10-6-3-7-11-16)12-17(14)15-8-4-2-5-9-15;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;;;;/h7,11-17,19-20,22H,4-6,8-9,18H2,1-3H3;2*5-8,10-17H,1-4H3;3-6,8-14H,1-2H3;3,6-7,10,13-14,16H,2,4-5,8-9,12H2,1H3;2-10,12-13H,1H3;5-7,9-11H,1-4H3;4-7,9-11H,1-3H3;;;;/q8*-1;;;;/i18D2;2*17D;;1D3,12D2;2*1D3;;;;; |
| InChIKey | MUMIJPVREWZVNH-SFDBHVTASA-N |
| XLogP | 40.31 |
| TPSA | 103.12 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 175 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3105.81 |
| LogP ≤ 5 | 40.31 |
| 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'} |
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