1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-6-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-6-yl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)-5-(trideuteriomethyl)pyridin-1-ium

C153H174N6O6+6 — CID 158296928

About 1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-6-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-6-yl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)-5-(trideuteriomethyl)pyridin-1-ium

1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-6-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-6-yl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)-5-(trideuteriomethyl)pyridin-1-ium (PubChem CID 158296928) has the molecular formula C153H174N6O6+6 and a molecular weight of 2202.17 g/mol. Its IUPAC name is 1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-6-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-6-yl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)-5-(trideuteriomethyl)pyridin-1-ium.

Molecular Properties

• Compound Name: 1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-6-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-6-yl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)-5-(trideuteriomethyl)pyridin-1-ium
• PubChem CID: 158296928
• Molecular Formula: C153H174N6O6+6
• Molecular Weight: 2202.17 g/mol
• Exact Mass: 2200.40
• IUPAC Name: 1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-6-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-6-yl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)-5-(trideuteriomethyl)pyridin-1-ium
• SMILES: Cc1ccccc1-c1cc(-c2ccc3c(c2)C(C)(C)C(C)(C)O3)cc[n+]1C.Cc1ccccc1-c1cc(-c2ccc3c(c2)OC(C)(C)C3(C)C)cc[n+]1C.Cc1ccccc1-c1cc(-c2cccc3c2OC(C)(C)C3(C)C)cc[n+]1C.[2H]C([2H])([2H])c1c[n+](C)c(-c2ccccc2C)cc1-c1ccc2c(c1)C(C)(C)C(C)(C)O2.[2H]C([2H])([2H])c1c[n+](C)c(-c2ccccc2C)cc1-c1ccc2c(c1)OC(C)(C)C2(C)C.[2H]C([2H])([2H])c1c[n+](C)c(-c2ccccc2C)cc1-c1cccc2c1OC(C)(C)C2(C)C
• InChI: InChI=1S/3C26H30NO.3C25H28NO/c1-17-11-8-9-12-19(17)23-15-21(18(2)16-27(23)7)20-13-10-14-22-24(20)28-26(5,6)25(22,3)4;1-17-10-8-9-11-20(17)23-15-21(18(2)16-27(23)7)19-12-13-24-22(14-19)25(3,4)26(5,6)28-24;1-17-10-8-9-11-20(17)23-15-21(18(2)16-27(23)7)19-12-13-22-24(14-19)28-26(5,6)25(22,3)4;1-17-10-7-8-11-19(17)22-16-18(14-15-26(22)6)20-12-9-13-21-23(20)27-25(4,5)24(21,2)3;1-17-9-7-8-10-20(17)22-15-19(13-14-26(22)6)18-11-12-21-23(16-18)27-25(4,5)24(21,2)3;1-17-9-7-8-10-20(17)22-16-19(13-14-26(22)6)18-11-12-23-21(15-18)24(2,3)25(4,5)27-23/h3*8-16H,1-7H3;3*7-16H,1-6H3/q6*+1/i3*2D3
• InChIKey: GLUAIIPIOSSLLN-WOXDLCKOSA-N
• XLogP: 34.54
• TPSA: 78.66 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2202.17
LogP ≤ 5	34.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-6-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-6-yl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)-5-(trideuteriomethyl)pyridin-1-ium?

The IUPAC name of 1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-6-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-6-yl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)-5-(trideuteriomethyl)pyridin-1-ium (CID 158296928) is 1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-6-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-6-yl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)-5-(trideuteriomethyl)pyridin-1-ium.

What is the SMILES notation for 1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-6-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-6-yl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)-5-(trideuteriomethyl)pyridin-1-ium?

The canonical SMILES for 1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-6-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-6-yl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)-5-(trideuteriomethyl)pyridin-1-ium is Cc1ccccc1-c1cc(-c2ccc3c(c2)C(C)(C)C(C)(C)O3)cc[n+]1C.Cc1ccccc1-c1cc(-c2ccc3c(c2)OC(C)(C)C3(C)C)cc[n+]1C.Cc1ccccc1-c1cc(-c2cccc3c2OC(C)(C)C3(C)C)cc[n+]1C.[2H]C([2H])([2H])c1c[n+](C)c(-c2ccccc2C)cc1-c1ccc2c(c1)C(C)(C)C(C)(C)O2.[2H]C([2H])([2H])c1c[n+](C)c(-c2ccccc2C)cc1-c1ccc2c(c1)OC(C)(C)C2(C)C.[2H]C([2H])([2H])c1c[n+](C)c(-c2ccccc2C)cc1-c1cccc2c1OC(C)(C)C2(C)C.

What is the InChIKey of 1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-6-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-6-yl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)-5-(trideuteriomethyl)pyridin-1-ium?

The InChIKey is GLUAIIPIOSSLLN-WOXDLCKOSA-N. The full InChI is InChI=1S/3C26H30NO.3C25H28NO/c1-17-11-8-9-12-19(17)23-15-21(18(2)16-27(23)7)20-13-10-14-22-24(20)28-26(5,6)25(22,3)4;1-17-10-8-9-11-20(17)23-15-21(18(2)16-27(23)7)19-12-13-24-22(14-19)25(3,4)26(5,6)28-24;1-17-10-8-9-11-20(17)23-15-21(18(2)16-27(23)7)19-12-13-22-24(14-19)28-26(5,6)25(22,3)4;1-17-10-7-8-11-19(17)22-16-18(14-15-26(22)6)20-12-9-13-21-23(20)27-25(4,5)24(21,2)3;1-17-9-7-8-10-20(17)22-15-19(13-14-26(22)6)18-11-12-21-23(16-18)27-25(4,5)24(21,2)3;1-17-9-7-8-10-20(17)22-16-19(13-14-26(22)6)18-11-12-23-21(15-18)24(2,3)25(4,5)27-23/h3*8-16H,1-7H3;3*7-16H,1-6H3/q6*+1/i3*2D3;;;.

What are the key properties of 1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-6-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-6-yl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)-5-(trideuteriomethyl)pyridin-1-ium?

1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-6-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-6-yl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)-5-(trideuteriomethyl)pyridin-1-ium has a molecular weight of 2202.17 g/mol, XLogP of 34.54, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-6-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-6-yl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)-5-(trideuteriomethyl)pyridin-1-ium is sourced from PubChem (CID 158296928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).