4-[2,6-bis(trideuteriomethyl)phenyl]-1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-4-[4-methyl-2,6-bis(trideuteriomethyl)phenyl]-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-4-[4-methyl-2-(trideuteriomethyl)phenyl]-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]-5-(trideuteriomethyl)-4-[2-(trideuteriomethyl)phenyl]pyridin-1-ium

C140H140N5+5 — CID 159418474

About 4-[2,6-bis(trideuteriomethyl)phenyl]-1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-4-[4-methyl-2,6-bis(trideuteriomethyl)phenyl]-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-4-[4-methyl-2-(trideuteriomethyl)phenyl]-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]-5-(trideuteriomethyl)-4-[2-(trideuteriomethyl)phenyl]pyridin-1-ium

4-[2,6-bis(trideuteriomethyl)phenyl]-1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-4-[4-methyl-2,6-bis(trideuteriomethyl)phenyl]-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-4-[4-methyl-2-(trideuteriomethyl)phenyl]-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]-5-(trideuteriomethyl)-4-[2-(trideuteriomethyl)phenyl]pyridin-1-ium (PubChem CID 159418474) has the molecular formula C140H140N5+5 and a molecular weight of 1931.93 g/mol. Its IUPAC name is 4-[2,6-bis(trideuteriomethyl)phenyl]-1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-4-[4-methyl-2,6-bis(trideuteriomethyl)phenyl]-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-4-[4-methyl-2-(trideuteriomethyl)phenyl]-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]-5-(trideuteriomethyl)-4-[2-(trideuteriomethyl)phenyl]pyridin-1-ium.

Molecular Properties

• Compound Name: 4-[2,6-bis(trideuteriomethyl)phenyl]-1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-4-[4-methyl-2,6-bis(trideuteriomethyl)phenyl]-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-4-[4-methyl-2-(trideuteriomethyl)phenyl]-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]-5-(trideuteriomethyl)-4-[2-(trideuteriomethyl)phenyl]pyridin-1-ium
• PubChem CID: 159418474
• Molecular Formula: C140H140N5+5
• Molecular Weight: 1931.93 g/mol
• Exact Mass: 1930.35
• IUPAC Name: 4-[2,6-bis(trideuteriomethyl)phenyl]-1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-4-[4-methyl-2,6-bis(trideuteriomethyl)phenyl]-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-4-[4-methyl-2-(trideuteriomethyl)phenyl]-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]-5-(trideuteriomethyl)-4-[2-(trideuteriomethyl)phenyl]pyridin-1-ium
• SMILES: [2H]C([2H])([2H])c1ccccc1-c1ccc(C)c(-c2cc(-c3c(C([2H])([2H])[2H])cc(C)cc3C([2H])([2H])[2H])cc[n+]2C)c1.[2H]C([2H])([2H])c1ccccc1-c1ccc(C)c(-c2cc(-c3c(C([2H])([2H])[2H])cccc3C([2H])([2H])[2H])cc[n+]2C)c1.[2H]C([2H])([2H])c1ccccc1-c1ccc(C)c(-c2cc(-c3ccc(C)cc3C([2H])([2H])[2H])cc[n+]2C)c1.[2H]C([2H])([2H])c1ccccc1-c1ccc(C)c(-c2cc(-c3ccccc3)c(C([2H])([2H])[2H])c[n+]2C)c1.[2H]C([2H])([2H])c1ccccc1-c1ccc(C)c(-c2cc(-c3ccccc3C([2H])([2H])[2H])c(C([2H])([2H])[2H])c[n+]2C)c1
• InChI: InChI=1S/C29H30N.3C28H28N.C27H26N/c1-19-15-22(4)29(23(5)16-19)25-13-14-30(6)28(18-25)27-17-24(12-11-21(27)3)26-10-8-7-9-20(26)2;1-19-10-6-8-12-24(19)23-15-14-21(3)27(16-23)28-17-26(22(4)18-29(28)5)25-13-9-7-11-20(25)2;1-19-9-6-7-12-25(19)23-14-13-20(2)26(17-23)27-18-24(15-16-29(27)5)28-21(3)10-8-11-22(28)4;1-19-10-13-26(22(4)16-19)24-14-15-29(5)28(18-24)27-17-23(12-11-21(27)3)25-9-7-6-8-20(25)2;1-19-10-8-9-13-24(19)23-15-14-20(2)26(16-23)27-17-25(21(3)18-28(27)4)22-11-6-5-7-12-22/h7-18H,1-6H3;3*6-18H,1-5H3;5-18H,1-4H3/q5*+1/i2D3,4D3,5D3;1D3,2D3,4D3;1D3,3D3,4D3;2D3,4D3;1D3,3D3
• InChIKey: BAXDYBKNPGHFNI-AISWQJJLSA-N
• XLogP: 33.73
• TPSA: 19.40 Ų
• Rotatable Bonds: 28
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1931.93
LogP ≤ 5	33.73
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-[2,6-bis(trideuteriomethyl)phenyl]-1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-4-[4-methyl-2,6-bis(trideuteriomethyl)phenyl]-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-4-[4-methyl-2-(trideuteriomethyl)phenyl]-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]-5-(trideuteriomethyl)-4-[2-(trideuteriomethyl)phenyl]pyridin-1-ium?

The IUPAC name of 4-[2,6-bis(trideuteriomethyl)phenyl]-1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-4-[4-methyl-2,6-bis(trideuteriomethyl)phenyl]-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-4-[4-methyl-2-(trideuteriomethyl)phenyl]-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]-5-(trideuteriomethyl)-4-[2-(trideuteriomethyl)phenyl]pyridin-1-ium (CID 159418474) is 4-[2,6-bis(trideuteriomethyl)phenyl]-1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-4-[4-methyl-2,6-bis(trideuteriomethyl)phenyl]-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-4-[4-methyl-2-(trideuteriomethyl)phenyl]-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]-5-(trideuteriomethyl)-4-[2-(trideuteriomethyl)phenyl]pyridin-1-ium.

What is the SMILES notation for 4-[2,6-bis(trideuteriomethyl)phenyl]-1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-4-[4-methyl-2,6-bis(trideuteriomethyl)phenyl]-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-4-[4-methyl-2-(trideuteriomethyl)phenyl]-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]-5-(trideuteriomethyl)-4-[2-(trideuteriomethyl)phenyl]pyridin-1-ium?

The canonical SMILES for 4-[2,6-bis(trideuteriomethyl)phenyl]-1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-4-[4-methyl-2,6-bis(trideuteriomethyl)phenyl]-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-4-[4-methyl-2-(trideuteriomethyl)phenyl]-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]-5-(trideuteriomethyl)-4-[2-(trideuteriomethyl)phenyl]pyridin-1-ium is [2H]C([2H])([2H])c1ccccc1-c1ccc(C)c(-c2cc(-c3c(C([2H])([2H])[2H])cc(C)cc3C([2H])([2H])[2H])cc[n+]2C)c1.[2H]C([2H])([2H])c1ccccc1-c1ccc(C)c(-c2cc(-c3c(C([2H])([2H])[2H])cccc3C([2H])([2H])[2H])cc[n+]2C)c1.[2H]C([2H])([2H])c1ccccc1-c1ccc(C)c(-c2cc(-c3ccc(C)cc3C([2H])([2H])[2H])cc[n+]2C)c1.[2H]C([2H])([2H])c1ccccc1-c1ccc(C)c(-c2cc(-c3ccccc3)c(C([2H])([2H])[2H])c[n+]2C)c1.[2H]C([2H])([2H])c1ccccc1-c1ccc(C)c(-c2cc(-c3ccccc3C([2H])([2H])[2H])c(C([2H])([2H])[2H])c[n+]2C)c1.

What is the InChIKey of 4-[2,6-bis(trideuteriomethyl)phenyl]-1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-4-[4-methyl-2,6-bis(trideuteriomethyl)phenyl]-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-4-[4-methyl-2-(trideuteriomethyl)phenyl]-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]-5-(trideuteriomethyl)-4-[2-(trideuteriomethyl)phenyl]pyridin-1-ium?

The InChIKey is BAXDYBKNPGHFNI-AISWQJJLSA-N. The full InChI is InChI=1S/C29H30N.3C28H28N.C27H26N/c1-19-15-22(4)29(23(5)16-19)25-13-14-30(6)28(18-25)27-17-24(12-11-21(27)3)26-10-8-7-9-20(26)2;1-19-10-6-8-12-24(19)23-15-14-21(3)27(16-23)28-17-26(22(4)18-29(28)5)25-13-9-7-11-20(25)2;1-19-9-6-7-12-25(19)23-14-13-20(2)26(17-23)27-18-24(15-16-29(27)5)28-21(3)10-8-11-22(28)4;1-19-10-13-26(22(4)16-19)24-14-15-29(5)28(18-24)27-17-23(12-11-21(27)3)25-9-7-6-8-20(25)2;1-19-10-8-9-13-24(19)23-15-14-20(2)26(16-23)27-17-25(21(3)18-28(27)4)22-11-6-5-7-12-22/h7-18H,1-6H3;3*6-18H,1-5H3;5-18H,1-4H3/q5*+1/i2D3,4D3,5D3;1D3,2D3,4D3;1D3,3D3,4D3;2D3,4D3;1D3,3D3.

What are the key properties of 4-[2,6-bis(trideuteriomethyl)phenyl]-1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-4-[4-methyl-2,6-bis(trideuteriomethyl)phenyl]-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-4-[4-methyl-2-(trideuteriomethyl)phenyl]-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]-5-(trideuteriomethyl)-4-[2-(trideuteriomethyl)phenyl]pyridin-1-ium?

4-[2,6-bis(trideuteriomethyl)phenyl]-1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-4-[4-methyl-2,6-bis(trideuteriomethyl)phenyl]-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-4-[4-methyl-2-(trideuteriomethyl)phenyl]-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]-5-(trideuteriomethyl)-4-[2-(trideuteriomethyl)phenyl]pyridin-1-ium has a molecular weight of 1931.93 g/mol, XLogP of 33.73, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2,6-bis(trideuteriomethyl)phenyl]-1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-4-[4-methyl-2,6-bis(trideuteriomethyl)phenyl]-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-4-[4-methyl-2-(trideuteriomethyl)phenyl]-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium;1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]-5-(trideuteriomethyl)-4-[2-(trideuteriomethyl)phenyl]pyridin-1-ium is sourced from PubChem (CID 159418474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).