4,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile;2-(4-fluoro-7-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(4-fluoro-8-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;6-fluoro-8-methyl-9-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile;2-(7-isocyano-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(8-isocyano-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium

C123H93F3N12O6+6 — CID 157093255

About 4,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile;2-(4-fluoro-7-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(4-fluoro-8-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;6-fluoro-8-methyl-9-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile;2-(7-isocyano-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(8-isocyano-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium

4,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile;2-(4-fluoro-7-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(4-fluoro-8-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;6-fluoro-8-methyl-9-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile;2-(7-isocyano-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(8-isocyano-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium (PubChem CID 157093255) has the molecular formula C123H93F3N12O6+6 and a molecular weight of 1892.17 g/mol. Its IUPAC name is 4,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile;2-(4-fluoro-7-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(4-fluoro-8-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;6-fluoro-8-methyl-9-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile;2-(7-isocyano-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(8-isocyano-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium.

Molecular Properties

• Compound Name: 4,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile;2-(4-fluoro-7-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(4-fluoro-8-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;6-fluoro-8-methyl-9-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile;2-(7-isocyano-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(8-isocyano-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium
• PubChem CID: 157093255
• Molecular Formula: C123H93F3N12O6+6
• Molecular Weight: 1892.17 g/mol
• Exact Mass: 1890.73
• IUPAC Name: 4,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile;2-(4-fluoro-7-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(4-fluoro-8-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;6-fluoro-8-methyl-9-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile;2-(7-isocyano-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(8-isocyano-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium
• SMILES: Cc1cc(F)c2oc3cccc(C#N)c3c2c1-c1cccc[n+]1C.Cc1ccc2c(oc3c(C)ccc(C#N)c32)c1-c1cccc[n+]1C.[C-]#[N+]c1cc(C)c2oc3c(-c4cccc[n+]4C)c(C)ccc3c2c1.[C-]#[N+]c1ccc2c(c1)oc1c(F)cc(C)c(-c3cccc[n+]3C)c12.[C-]#[N+]c1ccc2c(oc3c(-c4cccc[n+]4C)c(C)ccc32)c1C.[C-]#[N+]c1ccc2oc3c(F)cc(C)c(-c4cccc[n+]4C)c3c2c1
• InChI: InChI=1S/3C21H17N2O.3C20H14FN2O/c1-13-8-9-16-15-10-11-17(22-3)14(2)20(15)24-21(16)19(13)18-7-5-6-12-23(18)4;1-13-8-9-16-17-12-15(22-3)11-14(2)20(17)24-21(16)19(13)18-7-5-6-10-23(18)4;1-13-8-10-16-19-15(12-22)9-7-14(2)20(19)24-21(16)18(13)17-6-4-5-11-23(17)3;1-12-10-15(21)20-19(18(12)16-6-4-5-9-23(16)3)14-11-13(22-2)7-8-17(14)24-20;1-12-10-15(21)20-19(18(12)16-6-4-5-9-23(16)3)14-8-7-13(22-2)11-17(14)24-20;1-12-10-14(21)20-19(17(12)15-7-3-4-9-23(15)2)18-13(11-22)6-5-8-16(18)24-20/h2*5-12H,1-2,4H3;4-11H,1-3H3;2*4-11H,1,3H3;3-10H,1-2H3/q6*+1
• InChIKey: WIHLLNWFPFEIHN-UHFFFAOYSA-N
• XLogP: 29.60
• TPSA: 167.14 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1892.17
LogP ≤ 5	29.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile;2-(4-fluoro-7-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(4-fluoro-8-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;6-fluoro-8-methyl-9-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile;2-(7-isocyano-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(8-isocyano-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium?

The IUPAC name of 4,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile;2-(4-fluoro-7-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(4-fluoro-8-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;6-fluoro-8-methyl-9-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile;2-(7-isocyano-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(8-isocyano-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium (CID 157093255) is 4,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile;2-(4-fluoro-7-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(4-fluoro-8-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;6-fluoro-8-methyl-9-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile;2-(7-isocyano-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(8-isocyano-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium.

What is the SMILES notation for 4,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile;2-(4-fluoro-7-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(4-fluoro-8-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;6-fluoro-8-methyl-9-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile;2-(7-isocyano-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(8-isocyano-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium?

The canonical SMILES for 4,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile;2-(4-fluoro-7-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(4-fluoro-8-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;6-fluoro-8-methyl-9-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile;2-(7-isocyano-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(8-isocyano-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium is Cc1cc(F)c2oc3cccc(C#N)c3c2c1-c1cccc[n+]1C.Cc1ccc2c(oc3c(C)ccc(C#N)c32)c1-c1cccc[n+]1C.[C-]#[N+]c1cc(C)c2oc3c(-c4cccc[n+]4C)c(C)ccc3c2c1.[C-]#[N+]c1ccc2c(c1)oc1c(F)cc(C)c(-c3cccc[n+]3C)c12.[C-]#[N+]c1ccc2c(oc3c(-c4cccc[n+]4C)c(C)ccc32)c1C.[C-]#[N+]c1ccc2oc3c(F)cc(C)c(-c4cccc[n+]4C)c3c2c1.

What is the InChIKey of 4,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile;2-(4-fluoro-7-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(4-fluoro-8-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;6-fluoro-8-methyl-9-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile;2-(7-isocyano-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(8-isocyano-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium?

The InChIKey is WIHLLNWFPFEIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C21H17N2O.3C20H14FN2O/c1-13-8-9-16-15-10-11-17(22-3)14(2)20(15)24-21(16)19(13)18-7-5-6-12-23(18)4;1-13-8-9-16-17-12-15(22-3)11-14(2)20(17)24-21(16)19(13)18-7-5-6-10-23(18)4;1-13-8-10-16-19-15(12-22)9-7-14(2)20(19)24-21(16)18(13)17-6-4-5-11-23(17)3;1-12-10-15(21)20-19(18(12)16-6-4-5-9-23(16)3)14-11-13(22-2)7-8-17(14)24-20;1-12-10-15(21)20-19(18(12)16-6-4-5-9-23(16)3)14-8-7-13(22-2)11-17(14)24-20;1-12-10-14(21)20-19(17(12)15-7-3-4-9-23(15)2)18-13(11-22)6-5-8-16(18)24-20/h2*5-12H,1-2,4H3;4-11H,1-3H3;2*4-11H,1,3H3;3-10H,1-2H3/q6*+1.

What are the key properties of 4,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile;2-(4-fluoro-7-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(4-fluoro-8-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;6-fluoro-8-methyl-9-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile;2-(7-isocyano-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(8-isocyano-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium?

4,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile;2-(4-fluoro-7-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(4-fluoro-8-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;6-fluoro-8-methyl-9-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile;2-(7-isocyano-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(8-isocyano-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium has a molecular weight of 1892.17 g/mol, XLogP of 29.60, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile;2-(4-fluoro-7-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(4-fluoro-8-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;6-fluoro-8-methyl-9-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile;2-(7-isocyano-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(8-isocyano-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium is sourced from PubChem (CID 157093255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).