5-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium

C86H92N4+4 — CID 159467188

About 5-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium

5-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium (PubChem CID 159467188) has the molecular formula C86H92N4+4 and a molecular weight of 1181.71 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium.

Molecular Properties

• Compound Name: 5-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium
• PubChem CID: 159467188
• Molecular Formula: C86H92N4+4
• Molecular Weight: 1181.71 g/mol
• Exact Mass: 1180.73
• IUPAC Name: 5-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium
• SMILES: CCc1ccc(-c2ccc(-c3ccccc3C)[n+](C)c2)cc1.Cc1ccc(-c2ccc(-c3ccccc3C)[n+](C)c2)cc1.Cc1ccccc1-c1ccc(-c2ccc(C(C)C)cc2)c[n+]1C.Cc1ccccc1-c1ccc(-c2ccc(CC(C)C)cc2)c[n+]1C
• InChI: InChI=1S/C23H26N.C22H24N.C21H22N.C20H20N/c1-17(2)15-19-9-11-20(12-10-19)21-13-14-23(24(4)16-21)22-8-6-5-7-18(22)3;1-16(2)18-9-11-19(12-10-18)20-13-14-22(23(4)15-20)21-8-6-5-7-17(21)3;1-4-17-9-11-18(12-10-17)19-13-14-21(22(3)15-19)20-8-6-5-7-16(20)2;1-15-8-10-17(11-9-15)18-12-13-20(21(3)14-18)19-7-5-4-6-16(19)2/h5-14,16-17H,15H2,1-4H3;5-16H,1-4H3;5-15H,4H2,1-3H3;4-14H,1-3H3/q4*+1
• InChIKey: XBHDZPRMNQYIEQ-UHFFFAOYSA-N
• XLogP: 19.81
• TPSA: 15.52 Ų
• Rotatable Bonds: 12
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1181.71
LogP ≤ 5	19.81
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 5-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium?

The IUPAC name of 5-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium (CID 159467188) is 5-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium.

What is the SMILES notation for 5-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium?

The canonical SMILES for 5-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium is CCc1ccc(-c2ccc(-c3ccccc3C)[n+](C)c2)cc1.Cc1ccc(-c2ccc(-c3ccccc3C)[n+](C)c2)cc1.Cc1ccccc1-c1ccc(-c2ccc(C(C)C)cc2)c[n+]1C.Cc1ccccc1-c1ccc(-c2ccc(CC(C)C)cc2)c[n+]1C.

What is the InChIKey of 5-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium?

The InChIKey is XBHDZPRMNQYIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N.C22H24N.C21H22N.C20H20N/c1-17(2)15-19-9-11-20(12-10-19)21-13-14-23(24(4)16-21)22-8-6-5-7-18(22)3;1-16(2)18-9-11-19(12-10-18)20-13-14-22(23(4)15-20)21-8-6-5-7-17(21)3;1-4-17-9-11-18(12-10-17)19-13-14-21(22(3)15-19)20-8-6-5-7-16(20)2;1-15-8-10-17(11-9-15)18-12-13-20(21(3)14-18)19-7-5-4-6-16(19)2/h5-14,16-17H,15H2,1-4H3;5-16H,1-4H3;5-15H,4H2,1-3H3;4-14H,1-3H3/q4*+1.

What are the key properties of 5-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium?

5-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium has a molecular weight of 1181.71 g/mol, XLogP of 19.81, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium is sourced from PubChem (CID 159467188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).