5-(2-deuteriopropan-2-yl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(1,1-dideuterio-2,2-dimethylpropyl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,4-dimethyl-5-phenylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium;2-(2,4-dimethyl-5-phenylphenyl)-5-(2,2-dimethylpropyl)-1,4-dimethylpyridin-1-ium

C126H152N5+5 — CID 157497880

About 5-(2-deuteriopropan-2-yl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(1,1-dideuterio-2,2-dimethylpropyl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,4-dimethyl-5-phenylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium;2-(2,4-dimethyl-5-phenylphenyl)-5-(2,2-dimethylpropyl)-1,4-dimethylpyridin-1-ium

5-(2-deuteriopropan-2-yl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(1,1-dideuterio-2,2-dimethylpropyl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,4-dimethyl-5-phenylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium;2-(2,4-dimethyl-5-phenylphenyl)-5-(2,2-dimethylpropyl)-1,4-dimethylpyridin-1-ium (PubChem CID 157497880) has the molecular formula C126H152N5+5 and a molecular weight of 1750.72 g/mol. Its IUPAC name is 5-(2-deuteriopropan-2-yl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(1,1-dideuterio-2,2-dimethylpropyl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,4-dimethyl-5-phenylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium;2-(2,4-dimethyl-5-phenylphenyl)-5-(2,2-dimethylpropyl)-1,4-dimethylpyridin-1-ium.

Molecular Properties

• Compound Name: 5-(2-deuteriopropan-2-yl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(1,1-dideuterio-2,2-dimethylpropyl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,4-dimethyl-5-phenylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium;2-(2,4-dimethyl-5-phenylphenyl)-5-(2,2-dimethylpropyl)-1,4-dimethylpyridin-1-ium
• PubChem CID: 157497880
• Molecular Formula: C126H152N5+5
• Molecular Weight: 1750.72 g/mol
• Exact Mass: 1749.29
• IUPAC Name: 5-(2-deuteriopropan-2-yl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(1,1-dideuterio-2,2-dimethylpropyl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,4-dimethyl-5-phenylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium;2-(2,4-dimethyl-5-phenylphenyl)-5-(2,2-dimethylpropyl)-1,4-dimethylpyridin-1-ium
• SMILES: Cc1cc(-c2cc(-c3ccccc3)c(C)cc2C)[n+](C)cc1CC(C)(C)C.Cc1cc(-c2cc(-c3ccccc3)c(C)cc2C)[n+](C)cc1CC(C)C.[2H]C([2H])([2H])c1cc(C)c(-c2cc(C)c(C([2H])(C)C)c[n+]2C)cc1-c1ccccc1.[2H]C([2H])([2H])c1cc(C)c(-c2cc(C)c(C([2H])([2H])C(C)(C)C)c[n+]2C)cc1-c1ccccc1.[2H]C([2H])([2H])c1cc(C)c(-c2cc(C)c(C([2H])([2H])C(C)C)c[n+]2C)cc1-c1ccccc1
• InChI: InChI=1S/2C26H32N.2C25H30N.C24H28N/c2*1-18-14-25(27(7)17-22(18)16-26(4,5)6)24-15-23(19(2)13-20(24)3)21-11-9-8-10-12-21;2*1-17(2)12-22-16-26(6)25(14-18(22)3)24-15-23(19(4)13-20(24)5)21-10-8-7-9-11-21;1-16(2)23-15-25(6)24(13-19(23)5)22-14-21(17(3)12-18(22)4)20-10-8-7-9-11-20/h2*8-15,17H,16H2,1-7H3;2*7-11,13-17H,12H2,1-6H3;7-16H,1-6H3/q5*+1/i2D3,16D2;;4D3,12D2;;3D3,16D
• InChIKey: XAIJNCBNQYRGLN-MUZQOUKESA-N
• XLogP: 30.55
• TPSA: 19.40 Ų
• Rotatable Bonds: 20
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1750.72
LogP ≤ 5	30.55
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 5-(2-deuteriopropan-2-yl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(1,1-dideuterio-2,2-dimethylpropyl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,4-dimethyl-5-phenylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium;2-(2,4-dimethyl-5-phenylphenyl)-5-(2,2-dimethylpropyl)-1,4-dimethylpyridin-1-ium?

The IUPAC name of 5-(2-deuteriopropan-2-yl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(1,1-dideuterio-2,2-dimethylpropyl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,4-dimethyl-5-phenylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium;2-(2,4-dimethyl-5-phenylphenyl)-5-(2,2-dimethylpropyl)-1,4-dimethylpyridin-1-ium (CID 157497880) is 5-(2-deuteriopropan-2-yl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(1,1-dideuterio-2,2-dimethylpropyl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,4-dimethyl-5-phenylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium;2-(2,4-dimethyl-5-phenylphenyl)-5-(2,2-dimethylpropyl)-1,4-dimethylpyridin-1-ium.

What is the SMILES notation for 5-(2-deuteriopropan-2-yl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(1,1-dideuterio-2,2-dimethylpropyl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,4-dimethyl-5-phenylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium;2-(2,4-dimethyl-5-phenylphenyl)-5-(2,2-dimethylpropyl)-1,4-dimethylpyridin-1-ium?

The canonical SMILES for 5-(2-deuteriopropan-2-yl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(1,1-dideuterio-2,2-dimethylpropyl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,4-dimethyl-5-phenylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium;2-(2,4-dimethyl-5-phenylphenyl)-5-(2,2-dimethylpropyl)-1,4-dimethylpyridin-1-ium is Cc1cc(-c2cc(-c3ccccc3)c(C)cc2C)[n+](C)cc1CC(C)(C)C.Cc1cc(-c2cc(-c3ccccc3)c(C)cc2C)[n+](C)cc1CC(C)C.[2H]C([2H])([2H])c1cc(C)c(-c2cc(C)c(C([2H])(C)C)c[n+]2C)cc1-c1ccccc1.[2H]C([2H])([2H])c1cc(C)c(-c2cc(C)c(C([2H])([2H])C(C)(C)C)c[n+]2C)cc1-c1ccccc1.[2H]C([2H])([2H])c1cc(C)c(-c2cc(C)c(C([2H])([2H])C(C)C)c[n+]2C)cc1-c1ccccc1.

What is the InChIKey of 5-(2-deuteriopropan-2-yl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(1,1-dideuterio-2,2-dimethylpropyl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,4-dimethyl-5-phenylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium;2-(2,4-dimethyl-5-phenylphenyl)-5-(2,2-dimethylpropyl)-1,4-dimethylpyridin-1-ium?

The InChIKey is XAIJNCBNQYRGLN-MUZQOUKESA-N. The full InChI is InChI=1S/2C26H32N.2C25H30N.C24H28N/c2*1-18-14-25(27(7)17-22(18)16-26(4,5)6)24-15-23(19(2)13-20(24)3)21-11-9-8-10-12-21;2*1-17(2)12-22-16-26(6)25(14-18(22)3)24-15-23(19(4)13-20(24)5)21-10-8-7-9-11-21;1-16(2)23-15-25(6)24(13-19(23)5)22-14-21(17(3)12-18(22)4)20-10-8-7-9-11-20/h2*8-15,17H,16H2,1-7H3;2*7-11,13-17H,12H2,1-6H3;7-16H,1-6H3/q5*+1/i2D3,16D2;;4D3,12D2;;3D3,16D.

What are the key properties of 5-(2-deuteriopropan-2-yl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(1,1-dideuterio-2,2-dimethylpropyl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,4-dimethyl-5-phenylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium;2-(2,4-dimethyl-5-phenylphenyl)-5-(2,2-dimethylpropyl)-1,4-dimethylpyridin-1-ium?

5-(2-deuteriopropan-2-yl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(1,1-dideuterio-2,2-dimethylpropyl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,4-dimethyl-5-phenylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium;2-(2,4-dimethyl-5-phenylphenyl)-5-(2,2-dimethylpropyl)-1,4-dimethylpyridin-1-ium has a molecular weight of 1750.72 g/mol, XLogP of 30.55, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-deuteriopropan-2-yl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(1,1-dideuterio-2,2-dimethylpropyl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,4-dimethyl-5-phenylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium;2-(2,4-dimethyl-5-phenylphenyl)-5-(2,2-dimethylpropyl)-1,4-dimethylpyridin-1-ium is sourced from PubChem (CID 157497880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).