2-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-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

C105H126N7+7 — CID 159925917

About 2-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-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

2-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-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 159925917) has the molecular formula C105H126N7+7 and a molecular weight of 1492.25 g/mol. Its IUPAC name is 2-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-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.

Molecular Properties

• Compound Name: 2-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-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: 159925917
• Molecular Formula: C105H126N7+7
• Molecular Weight: 1492.25 g/mol
• Exact Mass: 1491.04
• IUPAC Name: 2-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-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
• 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.[2H]C([2H])([2H])c1cc(C)c(-c2cccc[n+]2C)cc1C
• InChI: InChI=1S/7C15H18N/c4*1-11-8-9-12(2)15(13(11)3)14-7-5-6-10-16(14)4;1-11-9-13(3)14(10-12(11)2)15-7-5-6-8-16(15)4;2*1-11-9-12(2)15(13(3)10-11)14-7-5-6-8-16(14)4/h7*5-10H,1-4H3/q7*+1/i;;;;2*1D3
• InChIKey: ZDINSIIUCLQWCN-WEMFGZMTSA-N
• XLogP: 21.72
• TPSA: 27.16 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1492.25
LogP ≤ 5	21.72
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-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-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?

The IUPAC name of 2-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-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 (CID 159925917) is 2-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-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.

What is the SMILES notation for 2-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-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?

The canonical SMILES for 2-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-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 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.[2H]C([2H])([2H])c1cc(C)c(-c2cccc[n+]2C)cc1C.

What is the InChIKey of 2-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-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?

The InChIKey is ZDINSIIUCLQWCN-WEMFGZMTSA-N. The full InChI is InChI=1S/7C15H18N/c4*1-11-8-9-12(2)15(13(11)3)14-7-5-6-10-16(14)4;1-11-9-13(3)14(10-12(11)2)15-7-5-6-8-16(15)4;2*1-11-9-12(2)15(13(3)10-11)14-7-5-6-8-16(14)4/h7*5-10H,1-4H3/q7*+1/i;;;;2*1D3;.

What are the key properties of 2-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-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?

2-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-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 1492.25 g/mol, XLogP of 21.72, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-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 is sourced from PubChem (CID 159925917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).