1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;2-(2,5-dimethyl-4-phenylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethyl-4-phenylphenyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium

C82H84N4+4 — CID 159214991

About 1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;2-(2,5-dimethyl-4-phenylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethyl-4-phenylphenyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium

1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;2-(2,5-dimethyl-4-phenylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethyl-4-phenylphenyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium (PubChem CID 159214991) has the molecular formula C82H84N4+4 and a molecular weight of 1131.64 g/mol. Its IUPAC name is 1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;2-(2,5-dimethyl-4-phenylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethyl-4-phenylphenyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium.

Molecular Properties

• Compound Name: 1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;2-(2,5-dimethyl-4-phenylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethyl-4-phenylphenyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium
• PubChem CID: 159214991
• Molecular Formula: C82H84N4+4
• Molecular Weight: 1131.64 g/mol
• Exact Mass: 1130.71
• IUPAC Name: 1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;2-(2,5-dimethyl-4-phenylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethyl-4-phenylphenyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium
• SMILES: Cc1ccc(-c2cc(-c3ccccc3)ccc2C)[n+](C)c1.Cc1ccc(-c2ccccc2)cc1-c1cccc[n+]1C.[2H]C([2H])([2H])c1c[n+](C)c(-c2cc(C)c(-c3ccccc3)cc2C)cc1C.[2H]C([2H])([2H])c1ccc(-c2cc(C)c(-c3ccccc3)cc2C)[n+](C)c1
• InChI: InChI=1S/C22H24N.C21H22N.C20H20N.C19H18N/c1-15-13-22(23(5)14-18(15)4)21-12-16(2)20(11-17(21)3)19-9-7-6-8-10-19;1-15-10-11-21(22(4)14-15)20-13-16(2)19(12-17(20)3)18-8-6-5-7-9-18;1-15-9-12-20(21(3)14-15)19-13-18(11-10-16(19)2)17-7-5-4-6-8-17;1-15-11-12-17(16-8-4-3-5-9-16)14-18(15)19-10-6-7-13-20(19)2/h6-14H,1-5H3;5-14H,1-4H3;4-14H,1-3H3;3-14H,1-2H3/q4*+1/i4D3;1D3
• InChIKey: PYMZPJPTQSGBEL-YKYRVZSCSA-N
• XLogP: 18.46
• TPSA: 15.52 Ų
• Rotatable Bonds: 10
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1131.64
LogP ≤ 5	18.46
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 1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;2-(2,5-dimethyl-4-phenylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethyl-4-phenylphenyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium?

The IUPAC name of 1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;2-(2,5-dimethyl-4-phenylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethyl-4-phenylphenyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium (CID 159214991) is 1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;2-(2,5-dimethyl-4-phenylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethyl-4-phenylphenyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium.

What is the SMILES notation for 1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;2-(2,5-dimethyl-4-phenylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethyl-4-phenylphenyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium?

The canonical SMILES for 1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;2-(2,5-dimethyl-4-phenylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethyl-4-phenylphenyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium is Cc1ccc(-c2cc(-c3ccccc3)ccc2C)[n+](C)c1.Cc1ccc(-c2ccccc2)cc1-c1cccc[n+]1C.[2H]C([2H])([2H])c1c[n+](C)c(-c2cc(C)c(-c3ccccc3)cc2C)cc1C.[2H]C([2H])([2H])c1ccc(-c2cc(C)c(-c3ccccc3)cc2C)[n+](C)c1.

What is the InChIKey of 1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;2-(2,5-dimethyl-4-phenylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethyl-4-phenylphenyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium?

The InChIKey is PYMZPJPTQSGBEL-YKYRVZSCSA-N. The full InChI is InChI=1S/C22H24N.C21H22N.C20H20N.C19H18N/c1-15-13-22(23(5)14-18(15)4)21-12-16(2)20(11-17(21)3)19-9-7-6-8-10-19;1-15-10-11-21(22(4)14-15)20-13-16(2)19(12-17(20)3)18-8-6-5-7-9-18;1-15-9-12-20(21(3)14-15)19-13-18(11-10-16(19)2)17-7-5-4-6-8-17;1-15-11-12-17(16-8-4-3-5-9-16)14-18(15)19-10-6-7-13-20(19)2/h6-14H,1-5H3;5-14H,1-4H3;4-14H,1-3H3;3-14H,1-2H3/q4*+1/i4D3;1D3;;.

What are the key properties of 1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;2-(2,5-dimethyl-4-phenylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethyl-4-phenylphenyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium?

1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;2-(2,5-dimethyl-4-phenylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethyl-4-phenylphenyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium has a molecular weight of 1131.64 g/mol, XLogP of 18.46, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;2-(2,5-dimethyl-4-phenylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethyl-4-phenylphenyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium is sourced from PubChem (CID 159214991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).