2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,5-dimethyl-4-propan-2-ylpyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,4,5-trimethylpyridin-1-ium

C101H122N4+4 — CID 159844843

About 2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,5-dimethyl-4-propan-2-ylpyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,4,5-trimethylpyridin-1-ium

2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,5-dimethyl-4-propan-2-ylpyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,4,5-trimethylpyridin-1-ium (PubChem CID 159844843) has the molecular formula C101H122N4+4 and a molecular weight of 1392.11 g/mol. Its IUPAC name is 2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,5-dimethyl-4-propan-2-ylpyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,4,5-trimethylpyridin-1-ium.

Molecular Properties

• Compound Name: 2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,5-dimethyl-4-propan-2-ylpyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,4,5-trimethylpyridin-1-ium
• PubChem CID: 159844843
• Molecular Formula: C101H122N4+4
• Molecular Weight: 1392.11 g/mol
• Exact Mass: 1390.96
• IUPAC Name: 2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,5-dimethyl-4-propan-2-ylpyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,4,5-trimethylpyridin-1-ium
• SMILES: Cc1c[n+](C)c(-c2cc(-c3ccccc3C)c(C)cc2C)cc1CC(C)(C)C.Cc1c[n+](C)c(-c2cc(-c3ccccc3C)c(C)cc2C)cc1CC(C)C.Cc1cc(-c2cc(-c3ccccc3C)c(C)cc2C)[n+](C)cc1C.Cc1ccccc1-c1cc(-c2cc(C(C)C)c(C)c[n+]2C)c(C)cc1C
• InChI: InChI=1S/C27H34N.C26H32N.C25H30N.C23H26N/c1-18-11-9-10-12-23(18)24-15-25(20(3)13-19(24)2)26-14-22(16-27(5,6)7)21(4)17-28(26)8;1-17(2)12-22-14-26(27(7)16-21(22)6)25-15-24(19(4)13-20(25)5)23-11-9-8-10-18(23)3;1-16(2)22-14-25(26(7)15-20(22)6)24-13-23(18(4)12-19(24)5)21-11-9-8-10-17(21)3;1-15-9-7-8-10-20(15)21-13-22(18(4)11-17(21)3)23-12-16(2)19(5)14-24(23)6/h9-15,17H,16H2,1-8H3;8-11,13-17H,12H2,1-7H3;8-16H,1-7H3;7-14H,1-6H3/q4*+1
• InChIKey: GOYDKACXLHMXBM-UHFFFAOYSA-N
• XLogP: 24.53
• TPSA: 15.52 Ų
• Rotatable Bonds: 12
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1392.11
LogP ≤ 5	24.53
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 2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,5-dimethyl-4-propan-2-ylpyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,4,5-trimethylpyridin-1-ium?

The IUPAC name of 2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,5-dimethyl-4-propan-2-ylpyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,4,5-trimethylpyridin-1-ium (CID 159844843) is 2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,5-dimethyl-4-propan-2-ylpyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,4,5-trimethylpyridin-1-ium.

What is the SMILES notation for 2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,5-dimethyl-4-propan-2-ylpyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,4,5-trimethylpyridin-1-ium?

The canonical SMILES for 2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,5-dimethyl-4-propan-2-ylpyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,4,5-trimethylpyridin-1-ium is Cc1c[n+](C)c(-c2cc(-c3ccccc3C)c(C)cc2C)cc1CC(C)(C)C.Cc1c[n+](C)c(-c2cc(-c3ccccc3C)c(C)cc2C)cc1CC(C)C.Cc1cc(-c2cc(-c3ccccc3C)c(C)cc2C)[n+](C)cc1C.Cc1ccccc1-c1cc(-c2cc(C(C)C)c(C)c[n+]2C)c(C)cc1C.

What is the InChIKey of 2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,5-dimethyl-4-propan-2-ylpyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,4,5-trimethylpyridin-1-ium?

The InChIKey is GOYDKACXLHMXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N.C26H32N.C25H30N.C23H26N/c1-18-11-9-10-12-23(18)24-15-25(20(3)13-19(24)2)26-14-22(16-27(5,6)7)21(4)17-28(26)8;1-17(2)12-22-14-26(27(7)16-21(22)6)25-15-24(19(4)13-20(25)5)23-11-9-8-10-18(23)3;1-16(2)22-14-25(26(7)15-20(22)6)24-13-23(18(4)12-19(24)5)21-11-9-8-10-17(21)3;1-15-9-7-8-10-20(15)21-13-22(18(4)11-17(21)3)23-12-16(2)19(5)14-24(23)6/h9-15,17H,16H2,1-8H3;8-11,13-17H,12H2,1-7H3;8-16H,1-7H3;7-14H,1-6H3/q4*+1.

What are the key properties of 2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,5-dimethyl-4-propan-2-ylpyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,4,5-trimethylpyridin-1-ium?

2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,5-dimethyl-4-propan-2-ylpyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,4,5-trimethylpyridin-1-ium has a molecular weight of 1392.11 g/mol, XLogP of 24.53, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,5-dimethyl-4-propan-2-ylpyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,4,5-trimethylpyridin-1-ium is sourced from PubChem (CID 159844843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).