1,4-dimethyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium;4-ethyl-1-methyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenyl-4-propan-2-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium

C82H84N4+4 — CID 157295818

About 1,4-dimethyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium;4-ethyl-1-methyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenyl-4-propan-2-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium

1,4-dimethyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium;4-ethyl-1-methyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenyl-4-propan-2-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium (PubChem CID 157295818) has the molecular formula C82H84N4+4 and a molecular weight of 1125.60 g/mol. Its IUPAC name is 1,4-dimethyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium;4-ethyl-1-methyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenyl-4-propan-2-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium.

Molecular Properties

• Compound Name: 1,4-dimethyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium;4-ethyl-1-methyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenyl-4-propan-2-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium
• PubChem CID: 157295818
• Molecular Formula: C82H84N4+4
• Molecular Weight: 1125.60 g/mol
• Exact Mass: 1124.67
• IUPAC Name: 1,4-dimethyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium;4-ethyl-1-methyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenyl-4-propan-2-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium
• SMILES: CCc1cc(-c2ccccc2C)[n+](C)cc1-c1ccccc1.Cc1cc(-c2ccccc2C)[n+](C)cc1-c1ccccc1.Cc1ccccc1-c1cc(C(C)C)c(-c2ccccc2)c[n+]1C.Cc1ccccc1-c1ccc(-c2ccccc2)c[n+]1C
• InChI: InChI=1S/C22H24N.C21H22N.C20H20N.C19H18N/c1-16(2)20-14-22(19-13-9-8-10-17(19)3)23(4)15-21(20)18-11-6-5-7-12-18;1-4-17-14-21(19-13-9-8-10-16(19)2)22(3)15-20(17)18-11-6-5-7-12-18;1-15-9-7-8-12-18(15)20-13-16(2)19(14-21(20)3)17-10-5-4-6-11-17;1-15-8-6-7-11-18(15)19-13-12-17(14-20(19)2)16-9-4-3-5-10-16/h5-16H,1-4H3;5-15H,4H2,1-3H3;4-14H,1-3H3;3-14H,1-2H3/q4*+1
• InChIKey: CPBQCOWTLJOLNF-UHFFFAOYSA-N
• XLogP: 18.61
• TPSA: 15.52 Ų
• Rotatable Bonds: 10
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1125.60
LogP ≤ 5	18.61
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 1,4-dimethyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium;4-ethyl-1-methyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenyl-4-propan-2-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium?

The IUPAC name of 1,4-dimethyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium;4-ethyl-1-methyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenyl-4-propan-2-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium (CID 157295818) is 1,4-dimethyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium;4-ethyl-1-methyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenyl-4-propan-2-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium.

What is the SMILES notation for 1,4-dimethyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium;4-ethyl-1-methyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenyl-4-propan-2-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium?

The canonical SMILES for 1,4-dimethyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium;4-ethyl-1-methyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenyl-4-propan-2-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium is CCc1cc(-c2ccccc2C)[n+](C)cc1-c1ccccc1.Cc1cc(-c2ccccc2C)[n+](C)cc1-c1ccccc1.Cc1ccccc1-c1cc(C(C)C)c(-c2ccccc2)c[n+]1C.Cc1ccccc1-c1ccc(-c2ccccc2)c[n+]1C.

What is the InChIKey of 1,4-dimethyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium;4-ethyl-1-methyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenyl-4-propan-2-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium?

The InChIKey is CPBQCOWTLJOLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N.C21H22N.C20H20N.C19H18N/c1-16(2)20-14-22(19-13-9-8-10-17(19)3)23(4)15-21(20)18-11-6-5-7-12-18;1-4-17-14-21(19-13-9-8-10-16(19)2)22(3)15-20(17)18-11-6-5-7-12-18;1-15-9-7-8-12-18(15)20-13-16(2)19(14-21(20)3)17-10-5-4-6-11-17;1-15-8-6-7-11-18(15)19-13-12-17(14-20(19)2)16-9-4-3-5-10-16/h5-16H,1-4H3;5-15H,4H2,1-3H3;4-14H,1-3H3;3-14H,1-2H3/q4*+1.

What are the key properties of 1,4-dimethyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium;4-ethyl-1-methyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenyl-4-propan-2-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium?

1,4-dimethyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium;4-ethyl-1-methyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenyl-4-propan-2-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium has a molecular weight of 1125.60 g/mol, XLogP of 18.61, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium;4-ethyl-1-methyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenyl-4-propan-2-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium is sourced from PubChem (CID 157295818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).