2-(2,3-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(6-isocyano-3,9-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(6-isocyano-2-methyldibenzofuran-1-yl)-1,4-dimethylpyridin-1-ium;2-(6-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(7-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(7-isocyano-3-methyl-6-phenyldibenzofuran-4-yl)-1-methylpyridin-1-ium

C128H101N11O6+6 — CID 157245103

About 2-(2,3-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(6-isocyano-3,9-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(6-isocyano-2-methyldibenzofuran-1-yl)-1,4-dimethylpyridin-1-ium;2-(6-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(7-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(7-isocyano-3-methyl-6-phenyldibenzofuran-4-yl)-1-methylpyridin-1-ium

2-(2,3-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(6-isocyano-3,9-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(6-isocyano-2-methyldibenzofuran-1-yl)-1,4-dimethylpyridin-1-ium;2-(6-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(7-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(7-isocyano-3-methyl-6-phenyldibenzofuran-4-yl)-1-methylpyridin-1-ium (PubChem CID 157245103) has the molecular formula C128H101N11O6+6 and a molecular weight of 1889.29 g/mol. Its IUPAC name is 2-(2,3-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(6-isocyano-3,9-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(6-isocyano-2-methyldibenzofuran-1-yl)-1,4-dimethylpyridin-1-ium;2-(6-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(7-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(7-isocyano-3-methyl-6-phenyldibenzofuran-4-yl)-1-methylpyridin-1-ium.

Molecular Properties

• Compound Name: 2-(2,3-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(6-isocyano-3,9-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(6-isocyano-2-methyldibenzofuran-1-yl)-1,4-dimethylpyridin-1-ium;2-(6-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(7-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(7-isocyano-3-methyl-6-phenyldibenzofuran-4-yl)-1-methylpyridin-1-ium
• PubChem CID: 157245103
• Molecular Formula: C128H101N11O6+6
• Molecular Weight: 1889.29 g/mol
• Exact Mass: 1887.79
• IUPAC Name: 2-(2,3-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(6-isocyano-3,9-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(6-isocyano-2-methyldibenzofuran-1-yl)-1,4-dimethylpyridin-1-ium;2-(6-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(7-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(7-isocyano-3-methyl-6-phenyldibenzofuran-4-yl)-1-methylpyridin-1-ium
• SMILES: Cc1cc2c(oc3ccccc32)c(-c2cccc[n+]2C)c1C.[C-]#[N+]c1ccc(C)c2c1oc1c(-c3cccc[n+]3C)c(C)ccc12.[C-]#[N+]c1ccc2c(c1)oc1ccc(C)c(-c3cccc[n+]3C)c12.[C-]#[N+]c1ccc2c(oc3c(-c4cccc[n+]4C)c(C)ccc32)c1-c1ccccc1.[C-]#[N+]c1cccc2c1oc1ccc(C)c(-c3cc(C)cc[n+]3C)c12.[C-]#[N+]c1cccc2c1oc1ccc(C)c(-c3cccc[n+]3C)c12
• InChI: InChI=1S/C26H19N2O.2C21H17N2O.2C20H15N2O.C20H18NO/c1-17-12-13-19-20-14-15-21(27-2)24(18-9-5-4-6-10-18)26(20)29-25(19)23(17)22-11-7-8-16-28(22)3;1-13-9-11-16(22-3)21-18(13)15-10-8-14(2)19(20(15)24-21)17-7-5-6-12-23(17)4;1-13-10-11-23(4)17(12-13)19-14(2)8-9-18-20(19)15-6-5-7-16(22-3)21(15)24-18;1-13-10-11-17-19(18(13)16-9-4-5-12-22(16)3)14-7-6-8-15(21-2)20(14)23-17;1-13-7-10-17-20(19(13)16-6-4-5-11-22(16)3)15-9-8-14(21-2)12-18(15)23-17;1-13-12-16-15-8-4-5-10-18(15)22-20(16)19(14(13)2)17-9-6-7-11-21(17)3/h4-16H,1,3H3;2*5-12H,1-2,4H3;2*4-12H,1,3H3;4-12H,1-3H3/q6*+1
• InChIKey: RVJLFDBFIMNOLH-UHFFFAOYSA-N
• XLogP: 31.66
• TPSA: 123.92 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1889.29
LogP ≤ 5	31.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 2-(2,3-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(6-isocyano-3,9-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(6-isocyano-2-methyldibenzofuran-1-yl)-1,4-dimethylpyridin-1-ium;2-(6-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(7-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(7-isocyano-3-methyl-6-phenyldibenzofuran-4-yl)-1-methylpyridin-1-ium?

The IUPAC name of 2-(2,3-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(6-isocyano-3,9-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(6-isocyano-2-methyldibenzofuran-1-yl)-1,4-dimethylpyridin-1-ium;2-(6-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(7-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(7-isocyano-3-methyl-6-phenyldibenzofuran-4-yl)-1-methylpyridin-1-ium (CID 157245103) is 2-(2,3-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(6-isocyano-3,9-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(6-isocyano-2-methyldibenzofuran-1-yl)-1,4-dimethylpyridin-1-ium;2-(6-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(7-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(7-isocyano-3-methyl-6-phenyldibenzofuran-4-yl)-1-methylpyridin-1-ium.

What is the SMILES notation for 2-(2,3-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(6-isocyano-3,9-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(6-isocyano-2-methyldibenzofuran-1-yl)-1,4-dimethylpyridin-1-ium;2-(6-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(7-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(7-isocyano-3-methyl-6-phenyldibenzofuran-4-yl)-1-methylpyridin-1-ium?

The canonical SMILES for 2-(2,3-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(6-isocyano-3,9-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(6-isocyano-2-methyldibenzofuran-1-yl)-1,4-dimethylpyridin-1-ium;2-(6-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(7-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(7-isocyano-3-methyl-6-phenyldibenzofuran-4-yl)-1-methylpyridin-1-ium is Cc1cc2c(oc3ccccc32)c(-c2cccc[n+]2C)c1C.[C-]#[N+]c1ccc(C)c2c1oc1c(-c3cccc[n+]3C)c(C)ccc12.[C-]#[N+]c1ccc2c(c1)oc1ccc(C)c(-c3cccc[n+]3C)c12.[C-]#[N+]c1ccc2c(oc3c(-c4cccc[n+]4C)c(C)ccc32)c1-c1ccccc1.[C-]#[N+]c1cccc2c1oc1ccc(C)c(-c3cc(C)cc[n+]3C)c12.[C-]#[N+]c1cccc2c1oc1ccc(C)c(-c3cccc[n+]3C)c12.

What is the InChIKey of 2-(2,3-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(6-isocyano-3,9-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(6-isocyano-2-methyldibenzofuran-1-yl)-1,4-dimethylpyridin-1-ium;2-(6-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(7-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(7-isocyano-3-methyl-6-phenyldibenzofuran-4-yl)-1-methylpyridin-1-ium?

The InChIKey is RVJLFDBFIMNOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N2O.2C21H17N2O.2C20H15N2O.C20H18NO/c1-17-12-13-19-20-14-15-21(27-2)24(18-9-5-4-6-10-18)26(20)29-25(19)23(17)22-11-7-8-16-28(22)3;1-13-9-11-16(22-3)21-18(13)15-10-8-14(2)19(20(15)24-21)17-7-5-6-12-23(17)4;1-13-10-11-23(4)17(12-13)19-14(2)8-9-18-20(19)15-6-5-7-16(22-3)21(15)24-18;1-13-10-11-17-19(18(13)16-9-4-5-12-22(16)3)14-7-6-8-15(21-2)20(14)23-17;1-13-7-10-17-20(19(13)16-6-4-5-11-22(16)3)15-9-8-14(21-2)12-18(15)23-17;1-13-12-16-15-8-4-5-10-18(15)22-20(16)19(14(13)2)17-9-6-7-11-21(17)3/h4-16H,1,3H3;2*5-12H,1-2,4H3;2*4-12H,1,3H3;4-12H,1-3H3/q6*+1.

What are the key properties of 2-(2,3-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(6-isocyano-3,9-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(6-isocyano-2-methyldibenzofuran-1-yl)-1,4-dimethylpyridin-1-ium;2-(6-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(7-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(7-isocyano-3-methyl-6-phenyldibenzofuran-4-yl)-1-methylpyridin-1-ium?

2-(2,3-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(6-isocyano-3,9-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(6-isocyano-2-methyldibenzofuran-1-yl)-1,4-dimethylpyridin-1-ium;2-(6-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(7-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(7-isocyano-3-methyl-6-phenyldibenzofuran-4-yl)-1-methylpyridin-1-ium has a molecular weight of 1889.29 g/mol, XLogP of 31.66, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(6-isocyano-3,9-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium;2-(6-isocyano-2-methyldibenzofuran-1-yl)-1,4-dimethylpyridin-1-ium;2-(6-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(7-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium;2-(7-isocyano-3-methyl-6-phenyldibenzofuran-4-yl)-1-methylpyridin-1-ium is sourced from PubChem (CID 157245103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).