Bis(2-(4H-1-benzoxonin-4-id-3-yl)-3,4-dideuterio-5-(trideuteriomethyl)pyridine);2-cyclohexa-1,3-dien-1-yl-4-methyl-5-(trideuteriomethyl)pyridine;5-cyclohexyl-4-methyl-2-phenyl-3,4-dihydropyridine;4-ethyl-2-phenyl-5-propan-2-ylpyridine;pentakis(iridium);5-methyl-2-(4-methylbenzene-6-id-1-yl)-3,4-dihydropyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;2,3,4,5-tetradeuterio-6-[6-(1-deuteriocyclohexyl)-3H-dibenzofuran-3-id-4-yl]pyridine;3,4,5,6-tetradeuterio-2-(3H-dibenzofuran-3-id-4-yl)-3,4-dihydropyridine;2,3,4,5-tetradeuterio-6-[6,7,9-trideuterio-8-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine
C167H152Ir5N10O5-10 — CID 159350519
Data last refreshed: (MolForge compound catalog, from PubChem)
About Bis(2-(4H-1-benzoxonin-4-id-3-yl)-3,4-dideuterio-5-(trideuteriomethyl)pyridine);2-cyclohexa-1,3-dien-1-yl-4-methyl-5-(trideuteriomethyl)pyridine;5-cyclohexyl-4-methyl-2-phenyl-3,4-dihydropyridine;4-ethyl-2-phenyl-5-propan-2-ylpyridine;pentakis(iridium);5-methyl-2-(4-methylbenzene-6-id-1-yl)-3,4-dihydropyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;2,3,4,5-tetradeuterio-6-[6-(1-deuteriocyclohexyl)-3H-dibenzofuran-3-id-4-yl]pyridine;3,4,5,6-tetradeuterio-2-(3H-dibenzofuran-3-id-4-yl)-3,4-dihydropyridine;2,3,4,5-tetradeuterio-6-[6,7,9-trideuterio-8-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine
Bis(2-(4H-1-benzoxonin-4-id-3-yl)-3,4-dideuterio-5-(trideuteriomethyl)pyridine);2-cyclohexa-1,3-dien-1-yl-4-methyl-5-(trideuteriomethyl)pyridine;5-cyclohexyl-4-methyl-2-phenyl-3,4-dihydropyridine;4-ethyl-2-phenyl-5-propan-2-ylpyridine;pentakis(iridium);5-methyl-2-(4-methylbenzene-6-id-1-yl)-3,4-dihydropyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;2,3,4,5-tetradeuterio-6-[6-(1-deuteriocyclohexyl)-3H-dibenzofuran-3-id-4-yl]pyridine;3,4,5,6-tetradeuterio-2-(3H-dibenzofuran-3-id-4-yl)-3,4-dihydropyridine;2,3,4,5-tetradeuterio-6-[6,7,9-trideuterio-8-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine (PubChem CID 159350519) has the molecular formula C167H152Ir5N10O5-10 and a molecular weight of 3375.42 g/mol. Its IUPAC name is bis(2-(4H-1-benzoxonin-4-id-3-yl)-3,4-dideuterio-5-(trideuteriomethyl)pyridine);2-cyclohexa-1,3-dien-1-yl-4-methyl-5-(trideuteriomethyl)pyridine;5-cyclohexyl-4-methyl-2-phenyl-3,4-dihydropyridine;4-ethyl-2-phenyl-5-propan-2-ylpyridine;pentakis(iridium);5-methyl-2-(4-methylbenzene-6-id-1-yl)-3,4-dihydropyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;2,3,4,5-tetradeuterio-6-[6-(1-deuteriocyclohexyl)-3H-dibenzofuran-3-id-4-yl]pyridine;3,4,5,6-tetradeuterio-2-(3H-dibenzofuran-3-id-4-yl)-3,4-dihydropyridine;2,3,4,5-tetradeuterio-6-[6,7,9-trideuterio-8-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine.
Molecular Properties
| Compound Name | Bis(2-(4H-1-benzoxonin-4-id-3-yl)-3,4-dideuterio-5-(trideuteriomethyl)pyridine);2-cyclohexa-1,3-dien-1-yl-4-methyl-5-(trideuteriomethyl)pyridine;5-cyclohexyl-4-methyl-2-phenyl-3,4-dihydropyridine;4-ethyl-2-phenyl-5-propan-2-ylpyridine;pentakis(iridium);5-methyl-2-(4-methylbenzene-6-id-1-yl)-3,4-dihydropyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;2,3,4,5-tetradeuterio-6-[6-(1-deuteriocyclohexyl)-3H-dibenzofuran-3-id-4-yl]pyridine;3,4,5,6-tetradeuterio-2-(3H-dibenzofuran-3-id-4-yl)-3,4-dihydropyridine;2,3,4,5-tetradeuterio-6-[6,7,9-trideuterio-8-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine |
|---|---|
| PubChem CID | 159350519 |
| Molecular Formula | C167H152Ir5N10O5-10 |
| Molecular Weight | 3375.42 g/mol |
| Exact Mass | 3377.23 |
| IUPAC Name | bis(2-(4H-1-benzoxonin-4-id-3-yl)-3,4-dideuterio-5-(trideuteriomethyl)pyridine);2-cyclohexa-1,3-dien-1-yl-4-methyl-5-(trideuteriomethyl)pyridine;5-cyclohexyl-4-methyl-2-phenyl-3,4-dihydropyridine;4-ethyl-2-phenyl-5-propan-2-ylpyridine;pentakis(iridium);5-methyl-2-(4-methylbenzene-6-id-1-yl)-3,4-dihydropyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;2,3,4,5-tetradeuterio-6-[6-(1-deuteriocyclohexyl)-3H-dibenzofuran-3-id-4-yl]pyridine;3,4,5,6-tetradeuterio-2-(3H-dibenzofuran-3-id-4-yl)-3,4-dihydropyridine;2,3,4,5-tetradeuterio-6-[6,7,9-trideuterio-8-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine |
| SMILES | CC1=CN=C(c2[c-]cc(C)cc2)CC1.CC1CC(c2[c-]cccc2)=NC=C1C1CCCCC1.CCc1cc(-c2[c-]cccc2)ncc1C(C)C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(C2=CC=CC[CH-]2)cc1C.[2H]C1=C([2H])C([2H])C([2H])C(c2[c-]ccc3c2oc2ccccc23)=N1.[2H]c1c(C([2H])([2H])[2H])cnc(-c2[c-]cccc3ccccc3oc2)c1[2H].[2H]c1c(C([2H])([2H])[2H])cnc(-c2[c-]cccc3ccccc3oc2)c1[2H].[2H]c1nc(-c2[c-]ccc3c2oc2c(C4([2H])CCCCC4)cccc23)c([2H])c([2H])c1[2H].[2H]c1nc(-c2[c-]ccc3c2oc2c([2H])c([2H])c(C([2H])([2H])[2H])c([2H])c23)c([2H])c([2H])c1[2H].[Ir].[Ir].[Ir].[Ir].[Ir] |
| InChI | InChI=1S/C23H20NO.C18H12NO.2C18H14NO.C18H22N.C17H12NO.C16H18N.2C13H14N.C13H12N.5Ir/c1-2-8-16(9-3-1)17-10-6-11-18-19-12-7-13-20(23(19)25-22(17)18)21-14-4-5-15-24-21;1-12-8-9-17-15(11-12)13-5-4-6-14(18(13)20-17)16-7-2-3-10-19-16;2*1-14-10-11-17(19-12-14)16-8-3-2-6-15-7-4-5-9-18(15)20-13-16;1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-4-13-10-16(14-8-6-5-7-9-14)17-11-15(13)12(2)3;1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;2*1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;;;;;/h4-7,10-12,14-16H,1-3,8-9H2;2-5,7-11H,1H3;2*2-7,9-13H,1H3;3,6-7,10,13-15H,2,4-5,8-9,12H2,1H3;1-2,4-7,10-11H,3,9H2;5-8,10-12H,4H2,1-3H3;3-4,6,9H,5,8H2,1-2H3;3-4,6-9H,5H2,1-2H3;3-6,8-9H,1-2H3;;;;;/q10*-1;;;;;/b;;2*6-2-,16-13+;;;;;;;;;;;/i4D,5D,14D,15D,16D;1D3,2D,3D,7D,8D,9D,10D,11D;2*1D3,10D,11D;;3D,4D,9D,11D;;;2*2D3;;;;; |
| InChIKey | UOFMERLHZQJASY-OLEMNHOBSA-N |
| XLogP | 43.89 |
| TPSA | 193.01 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 187 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3375.42 |
| LogP ≤ 5 | 43.89 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |
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Sources
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