4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium

C110H118N5+5 — CID 161078328

About 4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(2-methylpropyl)phenyl]pyridin-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-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium (PubChem CID 161078328) has the molecular formula C110H118N5+5 and a molecular weight of 1510.19 g/mol. Its IUPAC name is 4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(2-methylpropyl)phenyl]pyridin-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-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium
• PubChem CID: 161078328
• Molecular Formula: C110H118N5+5
• Molecular Weight: 1510.19 g/mol
• Exact Mass: 1508.94
• IUPAC Name: 4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium
• SMILES: CCc1ccc(-c2cc[n+](C)c(-c3ccccc3C)c2)cc1.Cc1cccc(-c2cc[n+](C)c(-c3ccccc3C)c2)c1.Cc1ccccc1-c1cc(-c2ccc(C(C)C)cc2)cc[n+]1C.Cc1ccccc1-c1cc(-c2ccc(C3CCCC3)cc2)cc[n+]1C.Cc1ccccc1-c1cc(-c2ccc(CC(C)C)cc2)cc[n+]1C
• InChI: InChI=1S/C24H26N.C23H26N.C22H24N.C21H22N.C20H20N/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;1-17(2)15-19-9-11-20(12-10-19)21-13-14-24(4)23(16-21)22-8-6-5-7-18(22)3;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;1-4-17-9-11-18(12-10-17)19-13-14-22(3)21(15-19)20-8-6-5-7-16(20)2;1-15-7-6-9-17(13-15)18-11-12-21(3)20(14-18)19-10-5-4-8-16(19)2/h3,6-7,10-17,19H,4-5,8-9H2,1-2H3;5-14,16-17H,15H2,1-4H3;5-16H,1-4H3;5-15H,4H2,1-3H3;4-14H,1-3H3/q5*+1
• InChIKey: RPZRBLMBLINDFY-UHFFFAOYSA-N
• XLogP: 25.62
• TPSA: 19.40 Ų
• Rotatable Bonds: 15
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1510.19
LogP ≤ 5	25.62
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-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(2-methylpropyl)phenyl]pyridin-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-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium (CID 161078328) is 4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(2-methylpropyl)phenyl]pyridin-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-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(2-methylpropyl)phenyl]pyridin-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-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium is CCc1ccc(-c2cc[n+](C)c(-c3ccccc3C)c2)cc1.Cc1cccc(-c2cc[n+](C)c(-c3ccccc3C)c2)c1.Cc1ccccc1-c1cc(-c2ccc(C(C)C)cc2)cc[n+]1C.Cc1ccccc1-c1cc(-c2ccc(C3CCCC3)cc2)cc[n+]1C.Cc1ccccc1-c1cc(-c2ccc(CC(C)C)cc2)cc[n+]1C.

What is the InChIKey of 4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium?

The InChIKey is RPZRBLMBLINDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N.C23H26N.C22H24N.C21H22N.C20H20N/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;1-17(2)15-19-9-11-20(12-10-19)21-13-14-24(4)23(16-21)22-8-6-5-7-18(22)3;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;1-4-17-9-11-18(12-10-17)19-13-14-22(3)21(15-19)20-8-6-5-7-16(20)2;1-15-7-6-9-17(13-15)18-11-12-21(3)20(14-18)19-10-5-4-8-16(19)2/h3,6-7,10-17,19H,4-5,8-9H2,1-2H3;5-14,16-17H,15H2,1-4H3;5-16H,1-4H3;5-15H,4H2,1-3H3;4-14H,1-3H3/q5*+1.

What are the key properties of 4-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(2-methylpropyl)phenyl]pyridin-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-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium has a molecular weight of 1510.19 g/mol, XLogP of 25.62, 15 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-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(3-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium is sourced from PubChem (CID 161078328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).