6-(4-cyclopentyl-1,6-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;6-(4-cyclopentyl-1,5,6-trimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;6-[1,6-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[1,5,6-trimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]dibenzofuran-1-carbonitrile

C132H128N8O4+4 — CID 163826015

About 6-(4-cyclopentyl-1,6-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;6-(4-cyclopentyl-1,5,6-trimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;6-[1,6-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[1,5,6-trimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]dibenzofuran-1-carbonitrile

6-(4-cyclopentyl-1,6-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;6-(4-cyclopentyl-1,5,6-trimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;6-[1,6-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[1,5,6-trimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]dibenzofuran-1-carbonitrile (PubChem CID 163826015) has the molecular formula C132H128N8O4+4 and a molecular weight of 1910.65 g/mol. Its IUPAC name is 6-(4-cyclopentyl-1,6-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;6-(4-cyclopentyl-1,5,6-trimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;6-[1,6-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[1,5,6-trimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]dibenzofuran-1-carbonitrile.

Molecular Properties

• Compound Name: 6-(4-cyclopentyl-1,6-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;6-(4-cyclopentyl-1,5,6-trimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;6-[1,6-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[1,5,6-trimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]dibenzofuran-1-carbonitrile
• PubChem CID: 163826015
• Molecular Formula: C132H128N8O4+4
• Molecular Weight: 1910.65 g/mol
• Exact Mass: 1909.13
• IUPAC Name: 6-(4-cyclopentyl-1,6-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;6-(4-cyclopentyl-1,5,6-trimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;6-[1,6-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[1,5,6-trimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]dibenzofuran-1-carbonitrile
• SMILES: [2H]c1c([2H])c([2H])c(-c2c(C)cc(C#N)c3c2oc2c(-c4cc(C5CCCC5)c(C)c(C)[n+]4C)c(C)ccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c(C)cc(C#N)c3c2oc2c(-c4cc(C5CCCC5)cc(C)[n+]4C)c(C)ccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c(C)cc(C#N)c3c2oc2c(-c4cc(CC(C)C)c(C)c(C)[n+]4C)c(C)ccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c(C)cc(C#N)c3c2oc2c(-c4cc(CC(C)C)cc(C)[n+]4C)c(C)ccc23)c([2H])c1[2H]
• InChI: InChI=1S/C34H33N2O.C33H31N2O.C33H33N2O.C32H31N2O/c1-20-15-16-27-32-26(19-35)17-21(2)30(25-13-7-6-8-14-25)34(32)37-33(27)31(20)29-18-28(24-11-9-10-12-24)22(3)23(4)36(29)5;1-20-14-15-27-31-26(19-34)16-21(2)29(24-12-6-5-7-13-24)33(31)36-32(27)30(20)28-18-25(17-22(3)35(28)4)23-10-8-9-11-23;1-19(2)15-25-17-28(35(7)23(6)22(25)5)30-20(3)13-14-27-31-26(18-34)16-21(4)29(33(31)36-32(27)30)24-11-9-8-10-12-24;1-19(2)14-23-16-22(5)34(6)27(17-23)29-20(3)12-13-26-30-25(18-33)15-21(4)28(32(30)35-31(26)29)24-10-8-7-9-11-24/h6-8,13-18,24H,9-12H2,1-5H3;5-7,12-18,23H,8-11H2,1-4H3;8-14,16-17,19H,15H2,1-7H3;7-13,15-17,19H,14H2,1-6H3/q4*+1/i6D,7D,8D,13D,14D;5D,6D,7D,12D,13D;8D,9D,10D,11D,12D;7D,8D,9D,10D,11D
• InChIKey: BCSVZKHKQKMPST-CEYMXZDBSA-N
• XLogP: 32.49
• TPSA: 163.24 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1910.65
LogP ≤ 5	32.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopentyl-1,6-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;6-(4-cyclopentyl-1,5,6-trimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;6-[1,6-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[1,5,6-trimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]dibenzofuran-1-carbonitrile?

The IUPAC name of 6-(4-cyclopentyl-1,6-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;6-(4-cyclopentyl-1,5,6-trimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;6-[1,6-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[1,5,6-trimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]dibenzofuran-1-carbonitrile (CID 163826015) is 6-(4-cyclopentyl-1,6-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;6-(4-cyclopentyl-1,5,6-trimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;6-[1,6-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[1,5,6-trimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]dibenzofuran-1-carbonitrile.

What is the SMILES notation for 6-(4-cyclopentyl-1,6-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;6-(4-cyclopentyl-1,5,6-trimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;6-[1,6-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[1,5,6-trimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]dibenzofuran-1-carbonitrile?

The canonical SMILES for 6-(4-cyclopentyl-1,6-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;6-(4-cyclopentyl-1,5,6-trimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;6-[1,6-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[1,5,6-trimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]dibenzofuran-1-carbonitrile is [2H]c1c([2H])c([2H])c(-c2c(C)cc(C#N)c3c2oc2c(-c4cc(C5CCCC5)c(C)c(C)[n+]4C)c(C)ccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c(C)cc(C#N)c3c2oc2c(-c4cc(C5CCCC5)cc(C)[n+]4C)c(C)ccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c(C)cc(C#N)c3c2oc2c(-c4cc(CC(C)C)c(C)c(C)[n+]4C)c(C)ccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c(C)cc(C#N)c3c2oc2c(-c4cc(CC(C)C)cc(C)[n+]4C)c(C)ccc23)c([2H])c1[2H].

What is the InChIKey of 6-(4-cyclopentyl-1,6-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;6-(4-cyclopentyl-1,5,6-trimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;6-[1,6-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[1,5,6-trimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]dibenzofuran-1-carbonitrile?

The InChIKey is BCSVZKHKQKMPST-CEYMXZDBSA-N. The full InChI is InChI=1S/C34H33N2O.C33H31N2O.C33H33N2O.C32H31N2O/c1-20-15-16-27-32-26(19-35)17-21(2)30(25-13-7-6-8-14-25)34(32)37-33(27)31(20)29-18-28(24-11-9-10-12-24)22(3)23(4)36(29)5;1-20-14-15-27-31-26(19-34)16-21(2)29(24-12-6-5-7-13-24)33(31)36-32(27)30(20)28-18-25(17-22(3)35(28)4)23-10-8-9-11-23;1-19(2)15-25-17-28(35(7)23(6)22(25)5)30-20(3)13-14-27-31-26(18-34)16-21(4)29(33(31)36-32(27)30)24-11-9-8-10-12-24;1-19(2)14-23-16-22(5)34(6)27(17-23)29-20(3)12-13-26-30-25(18-33)15-21(4)28(32(30)35-31(26)29)24-10-8-7-9-11-24/h6-8,13-18,24H,9-12H2,1-5H3;5-7,12-18,23H,8-11H2,1-4H3;8-14,16-17,19H,15H2,1-7H3;7-13,15-17,19H,14H2,1-6H3/q4*+1/i6D,7D,8D,13D,14D;5D,6D,7D,12D,13D;8D,9D,10D,11D,12D;7D,8D,9D,10D,11D.

What are the key properties of 6-(4-cyclopentyl-1,6-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;6-(4-cyclopentyl-1,5,6-trimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;6-[1,6-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[1,5,6-trimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]dibenzofuran-1-carbonitrile?

6-(4-cyclopentyl-1,6-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;6-(4-cyclopentyl-1,5,6-trimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;6-[1,6-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[1,5,6-trimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]dibenzofuran-1-carbonitrile has a molecular weight of 1910.65 g/mol, XLogP of 32.49, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-cyclopentyl-1,6-dimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;6-(4-cyclopentyl-1,5,6-trimethylpyridin-1-ium-2-yl)-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;6-[1,6-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-carbonitrile;3,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[1,5,6-trimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]dibenzofuran-1-carbonitrile is sourced from PubChem (CID 163826015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).