2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;tetrakis(1-methyl-2-(2,3,6-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium

C90H108N6+6 — CID 162171133

About 2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;tetrakis(1-methyl-2-(2,3,6-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium

2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;tetrakis(1-methyl-2-(2,3,6-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium (PubChem CID 162171133) has the molecular formula C90H108N6+6 and a molecular weight of 1276.91 g/mol. Its IUPAC name is 2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;tetrakis(1-methyl-2-(2,3,6-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium.

Molecular Properties

• Compound Name: 2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;tetrakis(1-methyl-2-(2,3,6-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium
• PubChem CID: 162171133
• Molecular Formula: C90H108N6+6
• Molecular Weight: 1276.91 g/mol
• Exact Mass: 1275.88
• IUPAC Name: 2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;tetrakis(1-methyl-2-(2,3,6-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium
• SMILES: Cc1cc(C)c(-c2cccc[n+]2C)c(C)c1.Cc1ccc(C)c(-c2cccc[n+]2C)c1C.Cc1ccc(C)c(-c2cccc[n+]2C)c1C.Cc1ccc(C)c(-c2cccc[n+]2C)c1C.Cc1ccc(C)c(-c2cccc[n+]2C)c1C.[2H]C([2H])([2H])c1cc(C)c(-c2cccc[n+]2C)c(C)c1
• InChI: InChI=1S/6C15H18N/c4*1-11-8-9-12(2)15(13(11)3)14-7-5-6-10-16(14)4;2*1-11-9-12(2)15(13(3)10-11)14-7-5-6-8-16(14)4/h6*5-10H,1-4H3/q6*+1/i;;;;1D3
• InChIKey: AJIRBTOMIHCRNM-NBPMZTIMSA-N
• XLogP: 18.62
• TPSA: 23.28 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1276.91
LogP ≤ 5	18.62
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 2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;tetrakis(1-methyl-2-(2,3,6-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium?

The IUPAC name of 2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;tetrakis(1-methyl-2-(2,3,6-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium (CID 162171133) is 2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;tetrakis(1-methyl-2-(2,3,6-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium.

What is the SMILES notation for 2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;tetrakis(1-methyl-2-(2,3,6-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium?

The canonical SMILES for 2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;tetrakis(1-methyl-2-(2,3,6-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium is Cc1cc(C)c(-c2cccc[n+]2C)c(C)c1.Cc1ccc(C)c(-c2cccc[n+]2C)c1C.Cc1ccc(C)c(-c2cccc[n+]2C)c1C.Cc1ccc(C)c(-c2cccc[n+]2C)c1C.Cc1ccc(C)c(-c2cccc[n+]2C)c1C.[2H]C([2H])([2H])c1cc(C)c(-c2cccc[n+]2C)c(C)c1.

What is the InChIKey of 2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;tetrakis(1-methyl-2-(2,3,6-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium?

The InChIKey is AJIRBTOMIHCRNM-NBPMZTIMSA-N. The full InChI is InChI=1S/6C15H18N/c4*1-11-8-9-12(2)15(13(11)3)14-7-5-6-10-16(14)4;2*1-11-9-12(2)15(13(3)10-11)14-7-5-6-8-16(14)4/h6*5-10H,1-4H3/q6*+1/i;;;;1D3;.

What are the key properties of 2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;tetrakis(1-methyl-2-(2,3,6-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium?

2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;tetrakis(1-methyl-2-(2,3,6-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium has a molecular weight of 1276.91 g/mol, XLogP of 18.62, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium;tetrakis(1-methyl-2-(2,3,6-trimethylphenyl)pyridin-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)pyridin-1-ium is sourced from PubChem (CID 162171133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).