2-(4-cyclohexyl-2-methylphenyl)-1,3,5-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,3,4-trimethylpyridin-1-ium;2-(4-ethyl-2-methylphenyl)-1,3,4-trimethylpyridin-1-ium;1,3,4-trimethyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium;1,3,4-trimethyl-2-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium

C91H120N5+5 — CID 159138484

About 2-(4-cyclohexyl-2-methylphenyl)-1,3,5-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,3,4-trimethylpyridin-1-ium;2-(4-ethyl-2-methylphenyl)-1,3,4-trimethylpyridin-1-ium;1,3,4-trimethyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium;1,3,4-trimethyl-2-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium

2-(4-cyclohexyl-2-methylphenyl)-1,3,5-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,3,4-trimethylpyridin-1-ium;2-(4-ethyl-2-methylphenyl)-1,3,4-trimethylpyridin-1-ium;1,3,4-trimethyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium;1,3,4-trimethyl-2-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium (PubChem CID 159138484) has the molecular formula C91H120N5+5 and a molecular weight of 1284.00 g/mol. Its IUPAC name is 2-(4-cyclohexyl-2-methylphenyl)-1,3,5-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,3,4-trimethylpyridin-1-ium;2-(4-ethyl-2-methylphenyl)-1,3,4-trimethylpyridin-1-ium;1,3,4-trimethyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium;1,3,4-trimethyl-2-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium.

Molecular Properties

• Compound Name: 2-(4-cyclohexyl-2-methylphenyl)-1,3,5-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,3,4-trimethylpyridin-1-ium;2-(4-ethyl-2-methylphenyl)-1,3,4-trimethylpyridin-1-ium;1,3,4-trimethyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium;1,3,4-trimethyl-2-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium
• PubChem CID: 159138484
• Molecular Formula: C91H120N5+5
• Molecular Weight: 1284.00 g/mol
• Exact Mass: 1282.95
• IUPAC Name: 2-(4-cyclohexyl-2-methylphenyl)-1,3,5-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,3,4-trimethylpyridin-1-ium;2-(4-ethyl-2-methylphenyl)-1,3,4-trimethylpyridin-1-ium;1,3,4-trimethyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium;1,3,4-trimethyl-2-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium
• SMILES: CCc1ccc(-c2c(C)c(C)cc[n+]2C)c(C)c1.Cc1cc(C(C)C)ccc1-c1c(C)c(C)cc[n+]1C.Cc1cc(C)c(-c2ccc(C3CCCCC3)cc2C)[n+](C)c1.Cc1cc(CC(C)C)ccc1-c1c(C)c(C)cc[n+]1C.Cc1ccc(-c2c(C)c(C)cc[n+]2C)c(C)c1
• InChI: InChI=1S/C21H28N.C19H26N.C18H24N.C17H22N.C16H20N/c1-15-12-17(3)21(22(4)14-15)20-11-10-19(13-16(20)2)18-8-6-5-7-9-18;1-13(2)11-17-7-8-18(15(4)12-17)19-16(5)14(3)9-10-20(19)6;1-12(2)16-7-8-17(14(4)11-16)18-15(5)13(3)9-10-19(18)6;1-6-15-7-8-16(13(3)11-15)17-14(4)12(2)9-10-18(17)5;1-11-6-7-15(13(3)10-11)16-14(4)12(2)8-9-17(16)5/h10-14,18H,5-9H2,1-4H3;7-10,12-13H,11H2,1-6H3;7-12H,1-6H3;7-11H,6H2,1-5H3;6-10H,1-5H3/q5*+1
• InChIKey: PJIRKLXZFNLWQK-UHFFFAOYSA-N
• XLogP: 20.76
• TPSA: 19.40 Ų
• Rotatable Bonds: 10
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1284.00
LogP ≤ 5	20.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexyl-2-methylphenyl)-1,3,5-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,3,4-trimethylpyridin-1-ium;2-(4-ethyl-2-methylphenyl)-1,3,4-trimethylpyridin-1-ium;1,3,4-trimethyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium;1,3,4-trimethyl-2-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium?

The IUPAC name of 2-(4-cyclohexyl-2-methylphenyl)-1,3,5-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,3,4-trimethylpyridin-1-ium;2-(4-ethyl-2-methylphenyl)-1,3,4-trimethylpyridin-1-ium;1,3,4-trimethyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium;1,3,4-trimethyl-2-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium (CID 159138484) is 2-(4-cyclohexyl-2-methylphenyl)-1,3,5-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,3,4-trimethylpyridin-1-ium;2-(4-ethyl-2-methylphenyl)-1,3,4-trimethylpyridin-1-ium;1,3,4-trimethyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium;1,3,4-trimethyl-2-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium.

What is the SMILES notation for 2-(4-cyclohexyl-2-methylphenyl)-1,3,5-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,3,4-trimethylpyridin-1-ium;2-(4-ethyl-2-methylphenyl)-1,3,4-trimethylpyridin-1-ium;1,3,4-trimethyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium;1,3,4-trimethyl-2-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium?

The canonical SMILES for 2-(4-cyclohexyl-2-methylphenyl)-1,3,5-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,3,4-trimethylpyridin-1-ium;2-(4-ethyl-2-methylphenyl)-1,3,4-trimethylpyridin-1-ium;1,3,4-trimethyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium;1,3,4-trimethyl-2-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium is CCc1ccc(-c2c(C)c(C)cc[n+]2C)c(C)c1.Cc1cc(C(C)C)ccc1-c1c(C)c(C)cc[n+]1C.Cc1cc(C)c(-c2ccc(C3CCCCC3)cc2C)[n+](C)c1.Cc1cc(CC(C)C)ccc1-c1c(C)c(C)cc[n+]1C.Cc1ccc(-c2c(C)c(C)cc[n+]2C)c(C)c1.

What is the InChIKey of 2-(4-cyclohexyl-2-methylphenyl)-1,3,5-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,3,4-trimethylpyridin-1-ium;2-(4-ethyl-2-methylphenyl)-1,3,4-trimethylpyridin-1-ium;1,3,4-trimethyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium;1,3,4-trimethyl-2-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium?

The InChIKey is PJIRKLXZFNLWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N.C19H26N.C18H24N.C17H22N.C16H20N/c1-15-12-17(3)21(22(4)14-15)20-11-10-19(13-16(20)2)18-8-6-5-7-9-18;1-13(2)11-17-7-8-18(15(4)12-17)19-16(5)14(3)9-10-20(19)6;1-12(2)16-7-8-17(14(4)11-16)18-15(5)13(3)9-10-19(18)6;1-6-15-7-8-16(13(3)11-15)17-14(4)12(2)9-10-18(17)5;1-11-6-7-15(13(3)10-11)16-14(4)12(2)8-9-17(16)5/h10-14,18H,5-9H2,1-4H3;7-10,12-13H,11H2,1-6H3;7-12H,1-6H3;7-11H,6H2,1-5H3;6-10H,1-5H3/q5*+1.

What are the key properties of 2-(4-cyclohexyl-2-methylphenyl)-1,3,5-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,3,4-trimethylpyridin-1-ium;2-(4-ethyl-2-methylphenyl)-1,3,4-trimethylpyridin-1-ium;1,3,4-trimethyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium;1,3,4-trimethyl-2-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium?

2-(4-cyclohexyl-2-methylphenyl)-1,3,5-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,3,4-trimethylpyridin-1-ium;2-(4-ethyl-2-methylphenyl)-1,3,4-trimethylpyridin-1-ium;1,3,4-trimethyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium;1,3,4-trimethyl-2-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium has a molecular weight of 1284.00 g/mol, XLogP of 20.76, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclohexyl-2-methylphenyl)-1,3,5-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,3,4-trimethylpyridin-1-ium;2-(4-ethyl-2-methylphenyl)-1,3,4-trimethylpyridin-1-ium;1,3,4-trimethyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium;1,3,4-trimethyl-2-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium is sourced from PubChem (CID 159138484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).