1,4-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;bis(2-(2,3-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium);2-(2,4-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;bis(1,3,6-trimethyl-2-[2-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium);1,3,6-trimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium

C192H240N12+12 — CID 160616444

About 1,4-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;bis(2-(2,3-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium);2-(2,4-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;bis(1,3,6-trimethyl-2-[2-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium);1,3,6-trimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium

1,4-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;bis(2-(2,3-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium);2-(2,4-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;bis(1,3,6-trimethyl-2-[2-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium);1,3,6-trimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium (PubChem CID 160616444) has the molecular formula C192H240N12+12 and a molecular weight of 2737.24 g/mol. Its IUPAC name is 1,4-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;bis(2-(2,3-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium);2-(2,4-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;bis(1,3,6-trimethyl-2-[2-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium);1,3,6-trimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium.

Molecular Properties

• Compound Name: 1,4-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;bis(2-(2,3-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium);2-(2,4-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;bis(1,3,6-trimethyl-2-[2-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium);1,3,6-trimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium
• PubChem CID: 160616444
• Molecular Formula: C192H240N12+12
• Molecular Weight: 2737.24 g/mol
• Exact Mass: 2735.04
• IUPAC Name: 1,4-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;bis(2-(2,3-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium);2-(2,4-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;bis(1,3,6-trimethyl-2-[2-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium);1,3,6-trimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium
• SMILES: Cc1cc(-c2c(C)cccc2C)[n+](C)cc1C.Cc1ccc(-c2c(C)ccc(C)[n+]2C)c(C)c1.Cc1ccc(-c2cc(C)c(C)c[n+]2C)c(C)c1.Cc1ccc(C)c(-c2cc(C)c(C)c[n+]2C)c1.Cc1cccc(-c2c(C)ccc(C)[n+]2C)c1C.Cc1cccc(-c2c(C)ccc(C)[n+]2C)c1C.[2H]C([2H])([2H])c1c[n+](C)c(-c2c(C)cccc2C)cc1C.[2H]C([2H])([2H])c1c[n+](C)c(-c2cc(C)ccc2C)cc1C.[2H]C([2H])([2H])c1ccc(-c2c(C)ccc(C)[n+]2C)c(C)c1.[2H]C([2H])([2H])c1ccc(-c2cc(C)c(C([2H])([2H])[2H])c[n+]2C)c(C)c1.[2H]C([2H])([2H])c1cccc(-c2c(C)ccc(C)[n+]2C)c1C.[2H]C([2H])([2H])c1cccc(-c2c(C)ccc(C)[n+]2C)c1C
• InChI: InChI=1S/12C16H20N/c2*1-11-6-9-15(13(3)10-11)16-12(2)7-8-14(4)17(16)5;2*1-11-6-7-15(13(3)8-11)16-9-12(2)14(4)10-17(16)5;2*1-11-6-7-12(2)15(8-11)16-9-13(3)14(4)10-17(16)5;2*1-11-7-6-8-12(2)16(11)15-9-13(3)14(4)10-17(15)5;4*1-11-7-6-8-15(14(11)4)16-12(2)9-10-13(3)17(16)5/h12*6-10H,1-5H3/q12*+1/i1D3;;1D3,4D3;;4D3;;4D3;;2*1D3
• InChIKey: XRSZCXSCCGVPQI-KKATUGFOSA-N
• XLogP: 40.94
• TPSA: 46.56 Ų
• Rotatable Bonds: 19
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2737.24
LogP ≤ 5	40.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;bis(2-(2,3-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium);2-(2,4-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;bis(1,3,6-trimethyl-2-[2-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium);1,3,6-trimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium?

The IUPAC name of 1,4-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;bis(2-(2,3-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium);2-(2,4-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;bis(1,3,6-trimethyl-2-[2-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium);1,3,6-trimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium (CID 160616444) is 1,4-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;bis(2-(2,3-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium);2-(2,4-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;bis(1,3,6-trimethyl-2-[2-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium);1,3,6-trimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium.

What is the SMILES notation for 1,4-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;bis(2-(2,3-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium);2-(2,4-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;bis(1,3,6-trimethyl-2-[2-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium);1,3,6-trimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium?

The canonical SMILES for 1,4-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;bis(2-(2,3-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium);2-(2,4-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;bis(1,3,6-trimethyl-2-[2-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium);1,3,6-trimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium is Cc1cc(-c2c(C)cccc2C)[n+](C)cc1C.Cc1ccc(-c2c(C)ccc(C)[n+]2C)c(C)c1.Cc1ccc(-c2cc(C)c(C)c[n+]2C)c(C)c1.Cc1ccc(C)c(-c2cc(C)c(C)c[n+]2C)c1.Cc1cccc(-c2c(C)ccc(C)[n+]2C)c1C.Cc1cccc(-c2c(C)ccc(C)[n+]2C)c1C.[2H]C([2H])([2H])c1c[n+](C)c(-c2c(C)cccc2C)cc1C.[2H]C([2H])([2H])c1c[n+](C)c(-c2cc(C)ccc2C)cc1C.[2H]C([2H])([2H])c1ccc(-c2c(C)ccc(C)[n+]2C)c(C)c1.[2H]C([2H])([2H])c1ccc(-c2cc(C)c(C([2H])([2H])[2H])c[n+]2C)c(C)c1.[2H]C([2H])([2H])c1cccc(-c2c(C)ccc(C)[n+]2C)c1C.[2H]C([2H])([2H])c1cccc(-c2c(C)ccc(C)[n+]2C)c1C.

What is the InChIKey of 1,4-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;bis(2-(2,3-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium);2-(2,4-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;bis(1,3,6-trimethyl-2-[2-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium);1,3,6-trimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium?

The InChIKey is XRSZCXSCCGVPQI-KKATUGFOSA-N. The full InChI is InChI=1S/12C16H20N/c2*1-11-6-9-15(13(3)10-11)16-12(2)7-8-14(4)17(16)5;2*1-11-6-7-15(13(3)8-11)16-9-12(2)14(4)10-17(16)5;2*1-11-6-7-12(2)15(8-11)16-9-13(3)14(4)10-17(16)5;2*1-11-7-6-8-12(2)16(11)15-9-13(3)14(4)10-17(15)5;4*1-11-7-6-8-15(14(11)4)16-12(2)9-10-13(3)17(16)5/h12*6-10H,1-5H3/q12*+1/i1D3;;1D3,4D3;;4D3;;4D3;;2*1D3;;.

What are the key properties of 1,4-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;bis(2-(2,3-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium);2-(2,4-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;bis(1,3,6-trimethyl-2-[2-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium);1,3,6-trimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium?

1,4-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;bis(2-(2,3-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium);2-(2,4-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;bis(1,3,6-trimethyl-2-[2-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium);1,3,6-trimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium has a molecular weight of 2737.24 g/mol, XLogP of 40.94, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;bis(2-(2,3-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium);2-(2,4-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;bis(1,3,6-trimethyl-2-[2-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium);1,3,6-trimethyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium is sourced from PubChem (CID 160616444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).