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

IUPACbis(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
SMILESCC1=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]
InChIInChI=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;;;;;
InChIKeyUOFMERLHZQJASY-OLEMNHOBSA-N
MW3375.42 g/mol
LogP43.89
Rot. Bonds19

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 Namebis(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 CID159350519
Molecular FormulaC167H152Ir5N10O5-10
Molecular Weight3375.42 g/mol
Exact Mass3377.23
IUPAC Namebis(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
SMILESCC1=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]
InChIInChI=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;;;;;
InChIKeyUOFMERLHZQJASY-OLEMNHOBSA-N
XLogP43.89
TPSA193.01 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003375.42
LogP ≤ 543.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Related Compounds

bis(2-(4H-1-benzoxonin-4-id-3-yl)-3,4-dideuterio-5-(trideuteriomethyl)pyridine);5-(1-deuteriocyclopropyl)-2-(4-methylcyclohexa-1,3-dien-1-yl)pyridine;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)-3,4-dihydropyridine;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;3,4-dideuterio-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);5-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)pyridine;4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine;2,3,4,5-tetradeuterio-6-(3H-dibenzofuran-3-id-4-yl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine
CID 157307139
2-(4H-1-benzoxonin-4-id-3-yl)-3,4-dideuterio-5-(trideuteriomethyl)pyridine;iridium;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3,4-dihydropyridine
CID 154587699
2-(3-cyclohexylbenzene-6-id-1-yl)-3,4,5,6-tetradeuteriopyridine;3,4-dideuterio-2-[11-(1-deuteriocyclohexyl)-4H-1-benzoxonin-4-id-3-yl]-5-(trideuteriomethyl)pyridine;iridium
CID 154588053
iridium;2-phenyl-5-(trideuteriomethyl)pyridine;2,3,4,5-tetradeuterio-6-(3H-dibenzofuran-3-id-4-yl)pyridine
CID 154587965
CID 159709118
CID 159709118
CID 159166541
CID 159166541
tetrakis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);tetrakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-phenyl-5-(trideuteriomethyl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
CID 160684487
2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;iridium;4-methyl-2-phenyl-5-propan-2-ylpyridine
CID 164797600
4-(1-deuteriocyclohexyl)-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2,6,6-tetramethylcyclohexyl)-5-(trideuteriomethyl)pyridine;tetrakis(iridium);tetrakis(5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]-4-[2,4,6-tris(2-deuteriopropan-2-yl)phenyl]pyridine)
CID 158209537
8-(4-cyclohexyl-5-methyl-2-pyridinyl)-2-[2,6-di(propan-2-yl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;5-methyl-2-phenylpyridine
CID 168827981
3,4-dideuterio-5-(2-deuteriopropan-2-yl)-2-phenylpyridine;iridium;2,3,4,5-tetradeuterio-6-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine
CID 154587720
4,5-bis(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;iridium;2,3,4,5-tetradeuterio-6-(2H-dibenzofuran-2-id-1-yl)pyridine
CID 154587815

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 159350519) 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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].
What is the InChIKey of 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?
The InChIKey is UOFMERLHZQJASY-OLEMNHOBSA-N. The full InChI is 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;;;;;.
What are the key properties of 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 has a molecular weight of 3375.42 g/mol, XLogP of 43.89, 19 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159350519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).