4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)phenyl]pyridin-1-ium;4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)-4-(trideuteriomethyl)phenyl]pyridin-1-ium;1,4-dimethyl-2-[2-methyl-5-(4-methylphenyl)phenyl]pyridin-1-ium;1,4-dimethyl-2-[2-methyl-5-(4-methylphenyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium

C120H140N5+5 — CID 159696330

About 4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)phenyl]pyridin-1-ium;4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)-4-(trideuteriomethyl)phenyl]pyridin-1-ium;1,4-dimethyl-2-[2-methyl-5-(4-methylphenyl)phenyl]pyridin-1-ium;1,4-dimethyl-2-[2-methyl-5-(4-methylphenyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium

4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)phenyl]pyridin-1-ium;4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)-4-(trideuteriomethyl)phenyl]pyridin-1-ium;1,4-dimethyl-2-[2-methyl-5-(4-methylphenyl)phenyl]pyridin-1-ium;1,4-dimethyl-2-[2-methyl-5-(4-methylphenyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium (PubChem CID 159696330) has the molecular formula C120H140N5+5 and a molecular weight of 1667.57 g/mol. Its IUPAC name is 4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)phenyl]pyridin-1-ium;4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)-4-(trideuteriomethyl)phenyl]pyridin-1-ium;1,4-dimethyl-2-[2-methyl-5-(4-methylphenyl)phenyl]pyridin-1-ium;1,4-dimethyl-2-[2-methyl-5-(4-methylphenyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium.

Molecular Properties

• Compound Name: 4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)phenyl]pyridin-1-ium;4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)-4-(trideuteriomethyl)phenyl]pyridin-1-ium;1,4-dimethyl-2-[2-methyl-5-(4-methylphenyl)phenyl]pyridin-1-ium;1,4-dimethyl-2-[2-methyl-5-(4-methylphenyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium
• PubChem CID: 159696330
• Molecular Formula: C120H140N5+5
• Molecular Weight: 1667.57 g/mol
• Exact Mass: 1666.20
• IUPAC Name: 4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)phenyl]pyridin-1-ium;4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)-4-(trideuteriomethyl)phenyl]pyridin-1-ium;1,4-dimethyl-2-[2-methyl-5-(4-methylphenyl)phenyl]pyridin-1-ium;1,4-dimethyl-2-[2-methyl-5-(4-methylphenyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium
• SMILES: Cc1ccc(-c2ccc(C)c(-c3cc(C)cc[n+]3C)c2)cc1.[2H]C([2H])([2H])c1c[n+](C)c(-c2cc(-c3ccc(C)cc3)ccc2C)cc1C.[2H]C([2H])([2H])c1c[n+](C)c(-c2cc(-c3ccc(C)cc3)ccc2C)cc1C([2H])([2H])C(C)(C)C.[2H]C([2H])([2H])c1cc(C)c(-c2cc(C([2H])([2H])C(C)(C)C)cc[n+]2C)cc1-c1ccc(C)cc1.[2H]C([2H])(c1cc[n+](C)c(-c2cc(-c3ccc(C)cc3)ccc2C)c1)C(C)(C)C
• InChI: InChI=1S/2C26H32N.C25H30N.C22H24N.C21H22N/c1-18-8-11-21(12-9-18)22-13-10-19(2)24(14-22)25-15-23(16-26(4,5)6)20(3)17-27(25)7;1-18-8-10-22(11-9-18)23-16-24(20(3)14-19(23)2)25-15-21(12-13-27(25)7)17-26(4,5)6;1-18-7-10-21(11-8-18)22-12-9-19(2)23(16-22)24-15-20(13-14-26(24)6)17-25(3,4)5;1-15-6-9-19(10-7-15)20-11-8-16(2)21(13-20)22-12-17(3)18(4)14-23(22)5;1-15-5-8-18(9-6-15)19-10-7-17(3)20(14-19)21-13-16(2)11-12-22(21)4/h8-15,17H,16H2,1-7H3;8-16H,17H2,1-7H3;7-16H,17H2,1-6H3;6-14H,1-5H3;5-14H,1-4H3/q5*+1/i3D3,16D2;2D3,17D2;17D2;4D3
• InChIKey: YNWDTONJWNBDLH-KYYLPCAXSA-N
• XLogP: 28.62
• TPSA: 19.40 Ų
• Rotatable Bonds: 16
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1667.57
LogP ≤ 5	28.62
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 4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)phenyl]pyridin-1-ium;4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)-4-(trideuteriomethyl)phenyl]pyridin-1-ium;1,4-dimethyl-2-[2-methyl-5-(4-methylphenyl)phenyl]pyridin-1-ium;1,4-dimethyl-2-[2-methyl-5-(4-methylphenyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium?

The IUPAC name of 4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)phenyl]pyridin-1-ium;4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)-4-(trideuteriomethyl)phenyl]pyridin-1-ium;1,4-dimethyl-2-[2-methyl-5-(4-methylphenyl)phenyl]pyridin-1-ium;1,4-dimethyl-2-[2-methyl-5-(4-methylphenyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium (CID 159696330) is 4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)phenyl]pyridin-1-ium;4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)-4-(trideuteriomethyl)phenyl]pyridin-1-ium;1,4-dimethyl-2-[2-methyl-5-(4-methylphenyl)phenyl]pyridin-1-ium;1,4-dimethyl-2-[2-methyl-5-(4-methylphenyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium.

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

The canonical SMILES for 4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)phenyl]pyridin-1-ium;4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)-4-(trideuteriomethyl)phenyl]pyridin-1-ium;1,4-dimethyl-2-[2-methyl-5-(4-methylphenyl)phenyl]pyridin-1-ium;1,4-dimethyl-2-[2-methyl-5-(4-methylphenyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium is Cc1ccc(-c2ccc(C)c(-c3cc(C)cc[n+]3C)c2)cc1.[2H]C([2H])([2H])c1c[n+](C)c(-c2cc(-c3ccc(C)cc3)ccc2C)cc1C.[2H]C([2H])([2H])c1c[n+](C)c(-c2cc(-c3ccc(C)cc3)ccc2C)cc1C([2H])([2H])C(C)(C)C.[2H]C([2H])([2H])c1cc(C)c(-c2cc(C([2H])([2H])C(C)(C)C)cc[n+]2C)cc1-c1ccc(C)cc1.[2H]C([2H])(c1cc[n+](C)c(-c2cc(-c3ccc(C)cc3)ccc2C)c1)C(C)(C)C.

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

The InChIKey is YNWDTONJWNBDLH-KYYLPCAXSA-N. The full InChI is InChI=1S/2C26H32N.C25H30N.C22H24N.C21H22N/c1-18-8-11-21(12-9-18)22-13-10-19(2)24(14-22)25-15-23(16-26(4,5)6)20(3)17-27(25)7;1-18-8-10-22(11-9-18)23-16-24(20(3)14-19(23)2)25-15-21(12-13-27(25)7)17-26(4,5)6;1-18-7-10-21(11-8-18)22-12-9-19(2)23(16-22)24-15-20(13-14-26(24)6)17-25(3,4)5;1-15-6-9-19(10-7-15)20-11-8-16(2)21(13-20)22-12-17(3)18(4)14-23(22)5;1-15-5-8-18(9-6-15)19-10-7-17(3)20(14-19)21-13-16(2)11-12-22(21)4/h8-15,17H,16H2,1-7H3;8-16H,17H2,1-7H3;7-16H,17H2,1-6H3;6-14H,1-5H3;5-14H,1-4H3/q5*+1/i3D3,16D2;2D3,17D2;17D2;4D3;.

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

4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)phenyl]pyridin-1-ium;4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)-4-(trideuteriomethyl)phenyl]pyridin-1-ium;1,4-dimethyl-2-[2-methyl-5-(4-methylphenyl)phenyl]pyridin-1-ium;1,4-dimethyl-2-[2-methyl-5-(4-methylphenyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium has a molecular weight of 1667.57 g/mol, XLogP of 28.62, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)phenyl]pyridin-1-ium;4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)-4-(trideuteriomethyl)phenyl]pyridin-1-ium;1,4-dimethyl-2-[2-methyl-5-(4-methylphenyl)phenyl]pyridin-1-ium;1,4-dimethyl-2-[2-methyl-5-(4-methylphenyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium is sourced from PubChem (CID 159696330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).