4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium

C109H116N5+5 — CID 162265556

About 4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium

4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium (PubChem CID 162265556) has the molecular formula C109H116N5+5 and a molecular weight of 1496.16 g/mol. Its IUPAC name is 4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium.

Molecular Properties

• Compound Name: 4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium
• PubChem CID: 162265556
• Molecular Formula: C109H116N5+5
• Molecular Weight: 1496.16 g/mol
• Exact Mass: 1494.92
• IUPAC Name: 4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium
• SMILES: Cc1ccc(-c2cc[n+](C)c(-c3ccccc3C)c2)cc1.Cc1ccccc1-c1cc(-c2ccc(C(C)C)cc2)cc[n+]1C.Cc1ccccc1-c1cc(-c2ccc(C3CCCC3)cc2)cc[n+]1C.Cc1ccccc1-c1cc(-c2ccc(CC(C)(C)C)cc2)cc[n+]1C.Cc1ccccc1-c1cc(-c2ccccc2)cc[n+]1C
• InChI: InChI=1S/C24H26N.C24H28N.C22H24N.C20H20N.C19H18N/c1-18-7-3-6-10-23(18)24-17-22(15-16-25(24)2)21-13-11-20(12-14-21)19-8-4-5-9-19;1-18-8-6-7-9-22(18)23-16-21(14-15-25(23)5)20-12-10-19(11-13-20)17-24(2,3)4;1-16(2)18-9-11-19(12-10-18)20-13-14-23(4)22(15-20)21-8-6-5-7-17(21)3;1-15-8-10-17(11-9-15)18-12-13-21(3)20(14-18)19-7-5-4-6-16(19)2;1-15-8-6-7-11-18(15)19-14-17(12-13-20(19)2)16-9-4-3-5-10-16/h3,6-7,10-17,19H,4-5,8-9H2,1-2H3;6-16H,17H2,1-5H3;5-16H,1-4H3;4-14H,1-3H3;3-14H,1-2H3/q5*+1
• InChIKey: PNCNQMCNHUCFJM-UHFFFAOYSA-N
• XLogP: 25.45
• TPSA: 19.40 Ų
• Rotatable Bonds: 13
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1496.16
LogP ≤ 5	25.45
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-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium?

The IUPAC name of 4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium (CID 162265556) is 4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium.

What is the SMILES notation for 4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium?

The canonical SMILES for 4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium is Cc1ccc(-c2cc[n+](C)c(-c3ccccc3C)c2)cc1.Cc1ccccc1-c1cc(-c2ccc(C(C)C)cc2)cc[n+]1C.Cc1ccccc1-c1cc(-c2ccc(C3CCCC3)cc2)cc[n+]1C.Cc1ccccc1-c1cc(-c2ccc(CC(C)(C)C)cc2)cc[n+]1C.Cc1ccccc1-c1cc(-c2ccccc2)cc[n+]1C.

What is the InChIKey of 4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium?

The InChIKey is PNCNQMCNHUCFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N.C24H28N.C22H24N.C20H20N.C19H18N/c1-18-7-3-6-10-23(18)24-17-22(15-16-25(24)2)21-13-11-20(12-14-21)19-8-4-5-9-19;1-18-8-6-7-9-22(18)23-16-21(14-15-25(23)5)20-12-10-19(11-13-20)17-24(2,3)4;1-16(2)18-9-11-19(12-10-18)20-13-14-23(4)22(15-20)21-8-6-5-7-17(21)3;1-15-8-10-17(11-9-15)18-12-13-21(3)20(14-18)19-7-5-4-6-16(19)2;1-15-8-6-7-11-18(15)19-14-17(12-13-20(19)2)16-9-4-3-5-10-16/h3,6-7,10-17,19H,4-5,8-9H2,1-2H3;6-16H,17H2,1-5H3;5-16H,1-4H3;4-14H,1-3H3;3-14H,1-2H3/q5*+1.

What are the key properties of 4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium?

4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium has a molecular weight of 1496.16 g/mol, XLogP of 25.45, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium is sourced from PubChem (CID 162265556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).