5-(1-deuteriocyclopentyl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;5-(2-deuteriopropan-2-yl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-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-phenylphenyl)pyridin-1-ium;5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium

C121H140N5+5 — CID 158449338

About 5-(1-deuteriocyclopentyl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;5-(2-deuteriopropan-2-yl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-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-phenylphenyl)pyridin-1-ium;5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium

5-(1-deuteriocyclopentyl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;5-(2-deuteriopropan-2-yl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-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-phenylphenyl)pyridin-1-ium;5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium (PubChem CID 158449338) has the molecular formula C121H140N5+5 and a molecular weight of 1674.55 g/mol. Its IUPAC name is 5-(1-deuteriocyclopentyl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;5-(2-deuteriopropan-2-yl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-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-phenylphenyl)pyridin-1-ium;5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium.

Molecular Properties

• Compound Name: 5-(1-deuteriocyclopentyl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;5-(2-deuteriopropan-2-yl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-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-phenylphenyl)pyridin-1-ium;5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium
• PubChem CID: 158449338
• Molecular Formula: C121H140N5+5
• Molecular Weight: 1674.55 g/mol
• Exact Mass: 1673.17
• IUPAC Name: 5-(1-deuteriocyclopentyl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;5-(2-deuteriopropan-2-yl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-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-phenylphenyl)pyridin-1-ium;5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium
• SMILES: [2H]C(C)(C)c1c[n+](C)c(-c2cc(-c3ccccc3)ccc2C)cc1C.[2H]C([2H])([2H])c1cc(C)c(-c2cc(C)c(C([2H])(C)C)c[n+]2C)cc1-c1ccccc1.[2H]C([2H])(c1c[n+](C)c(-c2cc(-c3ccccc3)ccc2C)cc1C)C(C)(C)C.[2H]C([2H])(c1c[n+](C)c(-c2cc(-c3ccccc3)ccc2C)cc1C)C(C)C.[2H]C1(c2c[n+](C)c(-c3cc(-c4ccccc4)ccc3C)cc2C)CCCC1
• InChI: InChI=1S/C25H28N.C25H30N.2C24H28N.C23H26N/c1-18-13-14-22(20-9-5-4-6-10-20)16-23(18)25-15-19(2)24(17-26(25)3)21-11-7-8-12-21;1-18-12-13-21(20-10-8-7-9-11-20)15-23(18)24-14-19(2)22(17-26(24)6)16-25(3,4)5;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;1-17(2)13-22-16-25(5)24(14-19(22)4)23-15-21(12-11-18(23)3)20-9-7-6-8-10-20;1-16(2)22-15-24(5)23(13-18(22)4)21-14-20(12-11-17(21)3)19-9-7-6-8-10-19/h4-6,9-10,13-17,21H,7-8,11-12H2,1-3H3;7-15,17H,16H2,1-6H3;7-16H,1-6H3;6-12,14-17H,13H2,1-5H3;6-16H,1-5H3/q5*+1/i21D;16D2;3D3,16D;13D2;16D
• InChIKey: DSAHUARDPPZABH-SVGSFYRRSA-N
• XLogP: 29.31
• TPSA: 19.40 Ų
• Rotatable Bonds: 17
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1674.55
LogP ≤ 5	29.31
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-(1-deuteriocyclopentyl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;5-(2-deuteriopropan-2-yl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-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-phenylphenyl)pyridin-1-ium;5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium?

The IUPAC name of 5-(1-deuteriocyclopentyl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;5-(2-deuteriopropan-2-yl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-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-phenylphenyl)pyridin-1-ium;5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium (CID 158449338) is 5-(1-deuteriocyclopentyl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;5-(2-deuteriopropan-2-yl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-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-phenylphenyl)pyridin-1-ium;5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium.

What is the SMILES notation for 5-(1-deuteriocyclopentyl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;5-(2-deuteriopropan-2-yl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-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-phenylphenyl)pyridin-1-ium;5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium?

The canonical SMILES for 5-(1-deuteriocyclopentyl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;5-(2-deuteriopropan-2-yl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-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-phenylphenyl)pyridin-1-ium;5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium is [2H]C(C)(C)c1c[n+](C)c(-c2cc(-c3ccccc3)ccc2C)cc1C.[2H]C([2H])([2H])c1cc(C)c(-c2cc(C)c(C([2H])(C)C)c[n+]2C)cc1-c1ccccc1.[2H]C([2H])(c1c[n+](C)c(-c2cc(-c3ccccc3)ccc2C)cc1C)C(C)(C)C.[2H]C([2H])(c1c[n+](C)c(-c2cc(-c3ccccc3)ccc2C)cc1C)C(C)C.[2H]C1(c2c[n+](C)c(-c3cc(-c4ccccc4)ccc3C)cc2C)CCCC1.

What is the InChIKey of 5-(1-deuteriocyclopentyl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;5-(2-deuteriopropan-2-yl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-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-phenylphenyl)pyridin-1-ium;5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium?

The InChIKey is DSAHUARDPPZABH-SVGSFYRRSA-N. The full InChI is InChI=1S/C25H28N.C25H30N.2C24H28N.C23H26N/c1-18-13-14-22(20-9-5-4-6-10-20)16-23(18)25-15-19(2)24(17-26(25)3)21-11-7-8-12-21;1-18-12-13-21(20-10-8-7-9-11-20)15-23(18)24-14-19(2)22(17-26(24)6)16-25(3,4)5;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;1-17(2)13-22-16-25(5)24(14-19(22)4)23-15-21(12-11-18(23)3)20-9-7-6-8-10-20;1-16(2)22-15-24(5)23(13-18(22)4)21-14-20(12-11-17(21)3)19-9-7-6-8-10-19/h4-6,9-10,13-17,21H,7-8,11-12H2,1-3H3;7-15,17H,16H2,1-6H3;7-16H,1-6H3;6-12,14-17H,13H2,1-5H3;6-16H,1-5H3/q5*+1/i21D;16D2;3D3,16D;13D2;16D.

What are the key properties of 5-(1-deuteriocyclopentyl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;5-(2-deuteriopropan-2-yl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-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-phenylphenyl)pyridin-1-ium;5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium?

5-(1-deuteriocyclopentyl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;5-(2-deuteriopropan-2-yl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-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-phenylphenyl)pyridin-1-ium;5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium has a molecular weight of 1674.55 g/mol, XLogP of 29.31, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-deuteriocyclopentyl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;5-(2-deuteriopropan-2-yl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-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-phenylphenyl)pyridin-1-ium;5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium is sourced from PubChem (CID 158449338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).