4-[4-(4,4-dimethylcyclohexyl)phenyl]-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(4-methylphenyl)phenyl]-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium

C123H124N8+8 — CID 160888314

About 4-[4-(4,4-dimethylcyclohexyl)phenyl]-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(4-methylphenyl)phenyl]-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium

4-[4-(4,4-dimethylcyclohexyl)phenyl]-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(4-methylphenyl)phenyl]-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium (PubChem CID 160888314) has the molecular formula C123H124N8+8 and a molecular weight of 1714.40 g/mol. Its IUPAC name is 4-[4-(4,4-dimethylcyclohexyl)phenyl]-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(4-methylphenyl)phenyl]-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium.

Molecular Properties

• Compound Name: 4-[4-(4,4-dimethylcyclohexyl)phenyl]-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(4-methylphenyl)phenyl]-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium
• PubChem CID: 160888314
• Molecular Formula: C123H124N8+8
• Molecular Weight: 1714.40 g/mol
• Exact Mass: 1712.99
• IUPAC Name: 4-[4-(4,4-dimethylcyclohexyl)phenyl]-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(4-methylphenyl)phenyl]-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium
• SMILES: Cc1ccc(-c2cc(-c3ccccc3C)[n+](C)c(-c3cccc[n+]3C)c2)c(C)c1.Cc1ccc(-c2ccc(-c3cc(-c4ccccc4C)[n+](C)c(-c4cccc[n+]4C)c3)cc2)cc1.Cc1ccccc1-c1cc(-c2ccc(-c3ccccc3)cc2)cc(-c2cccc[n+]2C)[n+]1C.Cc1ccccc1-c1cc(-c2ccc(C3CCC(C)(C)CC3)cc2)cc(-c2cccc[n+]2C)[n+]1C
• InChI: InChI=1S/C33H38N2.C32H30N2.C31H28N2.C27H28N2/c1-24-10-6-7-11-29(24)31-22-28(23-32(35(31)5)30-12-8-9-21-34(30)4)26-15-13-25(14-16-26)27-17-19-33(2,3)20-18-27;1-23-12-14-25(15-13-23)26-16-18-27(19-17-26)28-21-31(29-10-6-5-9-24(29)2)34(4)32(22-28)30-11-7-8-20-33(30)3;1-23-11-7-8-14-28(23)30-21-27(22-31(33(30)3)29-15-9-10-20-32(29)2)26-18-16-25(17-19-26)24-12-5-4-6-13-24;1-19-13-14-23(21(3)16-19)22-17-26(24-11-7-6-10-20(24)2)29(5)27(18-22)25-12-8-9-15-28(25)4/h6-16,21-23,27H,17-20H2,1-5H3;5-22H,1-4H3;4-22H,1-3H3;6-18H,1-5H3/q4*+2
• InChIKey: MXRAODWKHMFAFD-UHFFFAOYSA-N
• XLogP: 25.52
• TPSA: 31.04 Ų
• Rotatable Bonds: 15
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1714.40
LogP ≤ 5	25.52
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 4-[4-(4,4-dimethylcyclohexyl)phenyl]-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(4-methylphenyl)phenyl]-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium?

The IUPAC name of 4-[4-(4,4-dimethylcyclohexyl)phenyl]-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(4-methylphenyl)phenyl]-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium (CID 160888314) is 4-[4-(4,4-dimethylcyclohexyl)phenyl]-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(4-methylphenyl)phenyl]-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium.

What is the SMILES notation for 4-[4-(4,4-dimethylcyclohexyl)phenyl]-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(4-methylphenyl)phenyl]-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium?

The canonical SMILES for 4-[4-(4,4-dimethylcyclohexyl)phenyl]-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(4-methylphenyl)phenyl]-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium is Cc1ccc(-c2cc(-c3ccccc3C)[n+](C)c(-c3cccc[n+]3C)c2)c(C)c1.Cc1ccc(-c2ccc(-c3cc(-c4ccccc4C)[n+](C)c(-c4cccc[n+]4C)c3)cc2)cc1.Cc1ccccc1-c1cc(-c2ccc(-c3ccccc3)cc2)cc(-c2cccc[n+]2C)[n+]1C.Cc1ccccc1-c1cc(-c2ccc(C3CCC(C)(C)CC3)cc2)cc(-c2cccc[n+]2C)[n+]1C.

What is the InChIKey of 4-[4-(4,4-dimethylcyclohexyl)phenyl]-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(4-methylphenyl)phenyl]-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium?

The InChIKey is MXRAODWKHMFAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N2.C32H30N2.C31H28N2.C27H28N2/c1-24-10-6-7-11-29(24)31-22-28(23-32(35(31)5)30-12-8-9-21-34(30)4)26-15-13-25(14-16-26)27-17-19-33(2,3)20-18-27;1-23-12-14-25(15-13-23)26-16-18-27(19-17-26)28-21-31(29-10-6-5-9-24(29)2)34(4)32(22-28)30-11-7-8-20-33(30)3;1-23-11-7-8-14-28(23)30-21-27(22-31(33(30)3)29-15-9-10-20-32(29)2)26-18-16-25(17-19-26)24-12-5-4-6-13-24;1-19-13-14-23(21(3)16-19)22-17-26(24-11-7-6-10-20(24)2)29(5)27(18-22)25-12-8-9-15-28(25)4/h6-16,21-23,27H,17-20H2,1-5H3;5-22H,1-4H3;4-22H,1-3H3;6-18H,1-5H3/q4*+2.

What are the key properties of 4-[4-(4,4-dimethylcyclohexyl)phenyl]-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(4-methylphenyl)phenyl]-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium?

4-[4-(4,4-dimethylcyclohexyl)phenyl]-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(4-methylphenyl)phenyl]-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium has a molecular weight of 1714.40 g/mol, XLogP of 25.52, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(4,4-dimethylcyclohexyl)phenyl]-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(4-methylphenyl)phenyl]-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium is sourced from PubChem (CID 160888314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).