6-[4-(1-deuteriocyclopentyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[4-(2-deuteriopropan-2-yl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[4-(1,1-dideuterio-2-methylpropyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-(1,4-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[1,4-dimethyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile

C149H131N10O5+5 — CID 163670674

IUPAC6-[4-(1-deuteriocyclopentyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[4-(2-deuteriopropan-2-yl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[4-(1,1-dideuterio-2-methylpropyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-(1,4-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[1,4-dimethyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile
SMILES[2H]c1c([2H])c([2H])c(-c2c(C)c(C#N)cc3c2oc2c(-c4cc(C)cc[n+]4C)c(C)ccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cc(C#N)cc3c2oc2c(-c4cc(C([2H])(C)C)c(C([2H])([2H])[2H])c[n+]4C)c(C)ccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cc(C#N)cc3c2oc2c(-c4cc(C([2H])([2H])C(C)C)cc[n+]4C)c(C)ccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cc(C#N)cc3c2oc2c(-c4cc(C)c(C([2H])(C)C([2H])([2H])[2H])c[n+]4C)c(C)ccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cc(C#N)cc3c2oc2c(-c4cc(C5([2H])CCCC5)cc[n+]4C)c(C)ccc23)c([2H])c1[2H]
InChIInChI=1S/C31H27N2O.3C30H27N2O.C28H23N2O/c1-20-12-13-25-27-17-21(19-32)16-26(23-10-4-3-5-11-23)30(27)34-31(25)29(20)28-18-24(14-15-33(28)2)22-8-6-7-9-22;1-18(2)24-15-27(32(5)17-20(24)4)28-19(3)11-12-23-26-14-21(16-31)13-25(29(26)33-30(23)28)22-9-7-6-8-10-22;1-18(2)26-17-32(5)27(13-20(26)4)28-19(3)11-12-23-25-15-21(16-31)14-24(29(25)33-30(23)28)22-9-7-6-8-10-22;1-19(2)14-21-12-13-32(4)27(17-21)28-20(3)10-11-24-26-16-22(18-31)15-25(29(26)33-30(24)28)23-8-6-5-7-9-23;1-17-12-13-30(4)24(14-17)25-18(2)10-11-22-23-15-21(16-29)19(3)26(28(23)31-27(22)25)20-8-6-5-7-9-20/h3-5,10-18,22H,6-9H2,1-2H3;2*6-15,17-18H,1-5H3;5-13,15-17,19H,14H2,1-4H3;5-15H,1-4H3/q5*+1/i3D,4D,5D,10D,11D,22D;4D3,6D,7D,8D,9D,10D,18D;1D3,6D,7D,8D,9D,10D,18D;5D,6D,7D,8D,9D,14D2;5D,6D,7D,8D,9D
InChIKeyBAACTGDXKLUXRN-KTZOUZSESA-N
MW2177.97 g/mol
LogP35.96
Rot. Bonds17

About 6-[4-(1-deuteriocyclopentyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[4-(2-deuteriopropan-2-yl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[4-(1,1-dideuterio-2-methylpropyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-(1,4-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[1,4-dimethyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile

6-[4-(1-deuteriocyclopentyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[4-(2-deuteriopropan-2-yl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[4-(1,1-dideuterio-2-methylpropyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-(1,4-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[1,4-dimethyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile (PubChem CID 163670674) has the molecular formula C149H131N10O5+5 and a molecular weight of 2177.97 g/mol. Its IUPAC name is 6-[4-(1-deuteriocyclopentyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[4-(2-deuteriopropan-2-yl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[4-(1,1-dideuterio-2-methylpropyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-(1,4-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[1,4-dimethyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile.

Molecular Properties

Compound Name6-[4-(1-deuteriocyclopentyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[4-(2-deuteriopropan-2-yl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[4-(1,1-dideuterio-2-methylpropyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-(1,4-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[1,4-dimethyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile
PubChem CID163670674
Molecular FormulaC149H131N10O5+5
Molecular Weight2177.97 g/mol
Exact Mass2176.25
IUPAC Name6-[4-(1-deuteriocyclopentyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[4-(2-deuteriopropan-2-yl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[4-(1,1-dideuterio-2-methylpropyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-(1,4-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[1,4-dimethyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile
SMILES[2H]c1c([2H])c([2H])c(-c2c(C)c(C#N)cc3c2oc2c(-c4cc(C)cc[n+]4C)c(C)ccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cc(C#N)cc3c2oc2c(-c4cc(C([2H])(C)C)c(C([2H])([2H])[2H])c[n+]4C)c(C)ccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cc(C#N)cc3c2oc2c(-c4cc(C([2H])([2H])C(C)C)cc[n+]4C)c(C)ccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cc(C#N)cc3c2oc2c(-c4cc(C)c(C([2H])(C)C([2H])([2H])[2H])c[n+]4C)c(C)ccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cc(C#N)cc3c2oc2c(-c4cc(C5([2H])CCCC5)cc[n+]4C)c(C)ccc23)c([2H])c1[2H]
InChIInChI=1S/C31H27N2O.3C30H27N2O.C28H23N2O/c1-20-12-13-25-27-17-21(19-32)16-26(23-10-4-3-5-11-23)30(27)34-31(25)29(20)28-18-24(14-15-33(28)2)22-8-6-7-9-22;1-18(2)24-15-27(32(5)17-20(24)4)28-19(3)11-12-23-26-14-21(16-31)13-25(29(26)33-30(23)28)22-9-7-6-8-10-22;1-18(2)26-17-32(5)27(13-20(26)4)28-19(3)11-12-23-25-15-21(16-31)14-24(29(25)33-30(23)28)22-9-7-6-8-10-22;1-19(2)14-21-12-13-32(4)27(17-21)28-20(3)10-11-24-26-16-22(18-31)15-25(29(26)33-30(24)28)23-8-6-5-7-9-23;1-17-12-13-30(4)24(14-17)25-18(2)10-11-22-23-15-21(16-29)19(3)26(28(23)31-27(22)25)20-8-6-5-7-9-20/h3-5,10-18,22H,6-9H2,1-2H3;2*6-15,17-18H,1-5H3;5-13,15-17,19H,14H2,1-4H3;5-15H,1-4H3/q5*+1/i3D,4D,5D,10D,11D,22D;4D3,6D,7D,8D,9D,10D,18D;1D3,6D,7D,8D,9D,10D,18D;5D,6D,7D,8D,9D,14D2;5D,6D,7D,8D,9D
InChIKeyBAACTGDXKLUXRN-KTZOUZSESA-N
XLogP35.96
TPSA204.05 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms164
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002177.97
LogP ≤ 535.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-[4-(1-deuteriocyclopentyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[4-(2-deuteriopropan-2-yl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[4-(1,1-dideuterio-2-methylpropyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-(1,4-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[1,4-dimethyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-deuteriocyclopentyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[4-(2-deuteriopropan-2-yl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[4-(1,1-dideuterio-2-methylpropyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-(1,4-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[1,4-dimethyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile?
The IUPAC name of 6-[4-(1-deuteriocyclopentyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[4-(2-deuteriopropan-2-yl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[4-(1,1-dideuterio-2-methylpropyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-(1,4-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[1,4-dimethyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile (CID 163670674) is 6-[4-(1-deuteriocyclopentyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[4-(2-deuteriopropan-2-yl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[4-(1,1-dideuterio-2-methylpropyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-(1,4-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[1,4-dimethyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile.
What is the SMILES notation for 6-[4-(1-deuteriocyclopentyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[4-(2-deuteriopropan-2-yl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[4-(1,1-dideuterio-2-methylpropyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-(1,4-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[1,4-dimethyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile?
The canonical SMILES for 6-[4-(1-deuteriocyclopentyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[4-(2-deuteriopropan-2-yl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[4-(1,1-dideuterio-2-methylpropyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-(1,4-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[1,4-dimethyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile is [2H]c1c([2H])c([2H])c(-c2c(C)c(C#N)cc3c2oc2c(-c4cc(C)cc[n+]4C)c(C)ccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cc(C#N)cc3c2oc2c(-c4cc(C([2H])(C)C)c(C([2H])([2H])[2H])c[n+]4C)c(C)ccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cc(C#N)cc3c2oc2c(-c4cc(C([2H])([2H])C(C)C)cc[n+]4C)c(C)ccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cc(C#N)cc3c2oc2c(-c4cc(C)c(C([2H])(C)C([2H])([2H])[2H])c[n+]4C)c(C)ccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cc(C#N)cc3c2oc2c(-c4cc(C5([2H])CCCC5)cc[n+]4C)c(C)ccc23)c([2H])c1[2H].
What is the InChIKey of 6-[4-(1-deuteriocyclopentyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[4-(2-deuteriopropan-2-yl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[4-(1,1-dideuterio-2-methylpropyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-(1,4-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[1,4-dimethyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile?
The InChIKey is BAACTGDXKLUXRN-KTZOUZSESA-N. The full InChI is InChI=1S/C31H27N2O.3C30H27N2O.C28H23N2O/c1-20-12-13-25-27-17-21(19-32)16-26(23-10-4-3-5-11-23)30(27)34-31(25)29(20)28-18-24(14-15-33(28)2)22-8-6-7-9-22;1-18(2)24-15-27(32(5)17-20(24)4)28-19(3)11-12-23-26-14-21(16-31)13-25(29(26)33-30(23)28)22-9-7-6-8-10-22;1-18(2)26-17-32(5)27(13-20(26)4)28-19(3)11-12-23-25-15-21(16-31)14-24(29(25)33-30(23)28)22-9-7-6-8-10-22;1-19(2)14-21-12-13-32(4)27(17-21)28-20(3)10-11-24-26-16-22(18-31)15-25(29(26)33-30(24)28)23-8-6-5-7-9-23;1-17-12-13-30(4)24(14-17)25-18(2)10-11-22-23-15-21(16-29)19(3)26(28(23)31-27(22)25)20-8-6-5-7-9-20/h3-5,10-18,22H,6-9H2,1-2H3;2*6-15,17-18H,1-5H3;5-13,15-17,19H,14H2,1-4H3;5-15H,1-4H3/q5*+1/i3D,4D,5D,10D,11D,22D;4D3,6D,7D,8D,9D,10D,18D;1D3,6D,7D,8D,9D,10D,18D;5D,6D,7D,8D,9D,14D2;5D,6D,7D,8D,9D.
What are the key properties of 6-[4-(1-deuteriocyclopentyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[4-(2-deuteriopropan-2-yl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[4-(1,1-dideuterio-2-methylpropyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-(1,4-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[1,4-dimethyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile?
6-[4-(1-deuteriocyclopentyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[4-(2-deuteriopropan-2-yl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[4-(1,1-dideuterio-2-methylpropyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-(1,4-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[1,4-dimethyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile has a molecular weight of 2177.97 g/mol, XLogP of 35.96, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-deuteriocyclopentyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[4-(2-deuteriopropan-2-yl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[4-(1,1-dideuterio-2-methylpropyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-(1,4-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile;6-[1,4-dimethyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-carbonitrile is sourced from PubChem (CID 163670674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).