4,5-bis(1,1-dideuterio-2-methylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-tert-butyl-2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium;5-tert-butyl-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium;4,5-ditert-butyl-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium;4,5-ditert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4,5-ditert-butyl-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-4,5-bis(2-methylpropyl)pyridin-1-ium

C147H210N7+7 — CID 163433458

About 4,5-bis(1,1-dideuterio-2-methylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-tert-butyl-2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium;5-tert-butyl-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium;4,5-ditert-butyl-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium;4,5-ditert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4,5-ditert-butyl-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-4,5-bis(2-methylpropyl)pyridin-1-ium

4,5-bis(1,1-dideuterio-2-methylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-tert-butyl-2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium;5-tert-butyl-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium;4,5-ditert-butyl-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium;4,5-ditert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4,5-ditert-butyl-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-4,5-bis(2-methylpropyl)pyridin-1-ium (PubChem CID 163433458) has the molecular formula C147H210N7+7 and a molecular weight of 2091.44 g/mol. Its IUPAC name is 4,5-bis(1,1-dideuterio-2-methylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-tert-butyl-2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium;5-tert-butyl-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium;4,5-ditert-butyl-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium;4,5-ditert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4,5-ditert-butyl-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-4,5-bis(2-methylpropyl)pyridin-1-ium.

Molecular Properties

• Compound Name: 4,5-bis(1,1-dideuterio-2-methylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-tert-butyl-2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium;5-tert-butyl-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium;4,5-ditert-butyl-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium;4,5-ditert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4,5-ditert-butyl-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-4,5-bis(2-methylpropyl)pyridin-1-ium
• PubChem CID: 163433458
• Molecular Formula: C147H210N7+7
• Molecular Weight: 2091.44 g/mol
• Exact Mass: 2089.76
• IUPAC Name: 4,5-bis(1,1-dideuterio-2-methylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-tert-butyl-2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium;5-tert-butyl-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium;4,5-ditert-butyl-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium;4,5-ditert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4,5-ditert-butyl-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-4,5-bis(2-methylpropyl)pyridin-1-ium
• SMILES: Cc1ccc(-c2cc(C(C)(C)C)c(C(C)(C)C)c[n+]2C)c(C)c1.Cc1ccc(-c2cc(C)c(C(C)(C)C)c[n+]2C)c(C)c1.Cc1ccc(-c2cc(CC(C)C)c(CC(C)C)c[n+]2C)c(C)c1.Cc1ccccc1-c1cc(C(C)(C)C)c(C(C)(C)C)c[n+]1C.[2H]C([2H])([2H])c1ccc(-c2cc(C(C)(C)C)c(C(C)(C)C)c[n+]2C)c(C)c1.[2H]C([2H])([2H])c1ccc(-c2cc(C([2H])([2H])C(C)C)c(C([2H])([2H])C(C)C)c[n+]2C)c(C)c1.[2H]C([2H])([2H])c1ccc(-c2cc(C([2H])([2H])[2H])c(C(C)(C)C)c[n+]2C)c(C)c1
• InChI: InChI=1S/4C22H32N.C21H30N.2C19H26N/c2*1-15-10-11-17(16(2)12-15)20-13-18(21(3,4)5)19(14-23(20)9)22(6,7)8;2*1-15(2)10-19-13-22(21-9-8-17(5)12-18(21)6)23(7)14-20(19)11-16(3)4;1-15-11-9-10-12-16(15)19-13-17(20(2,3)4)18(14-22(19)8)21(5,6)7;2*1-13-8-9-16(14(2)10-13)18-11-15(3)17(12-20(18)7)19(4,5)6/h2*10-14H,1-9H3;2*8-9,12-16H,10-11H2,1-7H3;9-14H,1-8H3;2*8-12H,1-7H3/q7*+1/i1D3;;5D3,10D2,11D2;;;1D3,3D3
• InChIKey: AWZMXSGMEYKQCP-JEIQFFJQSA-N
• XLogP: 35.05
• TPSA: 27.16 Ų
• Rotatable Bonds: 19
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2091.44
LogP ≤ 5	35.05
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 4,5-bis(1,1-dideuterio-2-methylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-tert-butyl-2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium;5-tert-butyl-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium;4,5-ditert-butyl-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium;4,5-ditert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4,5-ditert-butyl-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-4,5-bis(2-methylpropyl)pyridin-1-ium?

The IUPAC name of 4,5-bis(1,1-dideuterio-2-methylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-tert-butyl-2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium;5-tert-butyl-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium;4,5-ditert-butyl-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium;4,5-ditert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4,5-ditert-butyl-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-4,5-bis(2-methylpropyl)pyridin-1-ium (CID 163433458) is 4,5-bis(1,1-dideuterio-2-methylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-tert-butyl-2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium;5-tert-butyl-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium;4,5-ditert-butyl-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium;4,5-ditert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4,5-ditert-butyl-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-4,5-bis(2-methylpropyl)pyridin-1-ium.

What is the SMILES notation for 4,5-bis(1,1-dideuterio-2-methylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-tert-butyl-2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium;5-tert-butyl-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium;4,5-ditert-butyl-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium;4,5-ditert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4,5-ditert-butyl-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-4,5-bis(2-methylpropyl)pyridin-1-ium?

The canonical SMILES for 4,5-bis(1,1-dideuterio-2-methylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-tert-butyl-2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium;5-tert-butyl-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium;4,5-ditert-butyl-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium;4,5-ditert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4,5-ditert-butyl-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-4,5-bis(2-methylpropyl)pyridin-1-ium is Cc1ccc(-c2cc(C(C)(C)C)c(C(C)(C)C)c[n+]2C)c(C)c1.Cc1ccc(-c2cc(C)c(C(C)(C)C)c[n+]2C)c(C)c1.Cc1ccc(-c2cc(CC(C)C)c(CC(C)C)c[n+]2C)c(C)c1.Cc1ccccc1-c1cc(C(C)(C)C)c(C(C)(C)C)c[n+]1C.[2H]C([2H])([2H])c1ccc(-c2cc(C(C)(C)C)c(C(C)(C)C)c[n+]2C)c(C)c1.[2H]C([2H])([2H])c1ccc(-c2cc(C([2H])([2H])C(C)C)c(C([2H])([2H])C(C)C)c[n+]2C)c(C)c1.[2H]C([2H])([2H])c1ccc(-c2cc(C([2H])([2H])[2H])c(C(C)(C)C)c[n+]2C)c(C)c1.

What is the InChIKey of 4,5-bis(1,1-dideuterio-2-methylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-tert-butyl-2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium;5-tert-butyl-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium;4,5-ditert-butyl-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium;4,5-ditert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4,5-ditert-butyl-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-4,5-bis(2-methylpropyl)pyridin-1-ium?

The InChIKey is AWZMXSGMEYKQCP-JEIQFFJQSA-N. The full InChI is InChI=1S/4C22H32N.C21H30N.2C19H26N/c2*1-15-10-11-17(16(2)12-15)20-13-18(21(3,4)5)19(14-23(20)9)22(6,7)8;2*1-15(2)10-19-13-22(21-9-8-17(5)12-18(21)6)23(7)14-20(19)11-16(3)4;1-15-11-9-10-12-16(15)19-13-17(20(2,3)4)18(14-22(19)8)21(5,6)7;2*1-13-8-9-16(14(2)10-13)18-11-15(3)17(12-20(18)7)19(4,5)6/h2*10-14H,1-9H3;2*8-9,12-16H,10-11H2,1-7H3;9-14H,1-8H3;2*8-12H,1-7H3/q7*+1/i1D3;;5D3,10D2,11D2;;;1D3,3D3;.

What are the key properties of 4,5-bis(1,1-dideuterio-2-methylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-tert-butyl-2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium;5-tert-butyl-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium;4,5-ditert-butyl-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium;4,5-ditert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4,5-ditert-butyl-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-4,5-bis(2-methylpropyl)pyridin-1-ium?

4,5-bis(1,1-dideuterio-2-methylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-tert-butyl-2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium;5-tert-butyl-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium;4,5-ditert-butyl-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium;4,5-ditert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4,5-ditert-butyl-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-4,5-bis(2-methylpropyl)pyridin-1-ium has a molecular weight of 2091.44 g/mol, XLogP of 35.05, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-bis(1,1-dideuterio-2-methylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-tert-butyl-2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium;5-tert-butyl-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium;4,5-ditert-butyl-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium;4,5-ditert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4,5-ditert-butyl-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-4,5-bis(2-methylpropyl)pyridin-1-ium is sourced from PubChem (CID 163433458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).