2-tert-butyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-cyclohexyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-cyclopentyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-(2,2-dimethylpropyl)-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine

C₁₄₁H₁₅₂N₁₂O₆+6 — CID 158599624

About 2-tert-butyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-cyclohexyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-cyclopentyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-(2,2-dimethylpropyl)-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine

2-tert-butyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-cyclohexyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-cyclopentyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-(2,2-dimethylpropyl)-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine (PubChem CID 158599624) has the molecular formula C₁₄₁H₁₅₂N₁₂O₆+6 and a molecular weight of 2110.84 g/mol. Its IUPAC name is 2-tert-butyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-cyclohexyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-cyclopentyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-(2,2-dimethylpropyl)-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 2-tert-butyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-cyclohexyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-cyclopentyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-(2,2-dimethylpropyl)-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 158599624
• Molecular Formula: C₁₄₁H₁₅₂N₁₂O₆+6
• Molecular Weight: 2110.84 g/mol
• Exact Mass: 2109.19
• IUPAC Name: 2-tert-butyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-cyclohexyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-cyclopentyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-(2,2-dimethylpropyl)-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1cc[n+](C)c(-c2c(C)ccc3c2oc2nc(C(C)(C)C)ccc23)c1.Cc1cc[n+](C)c(-c2c(C)ccc3c2oc2nc(C(C)C)ccc23)c1.Cc1cc[n+](C)c(-c2c(C)ccc3c2oc2nc(C4CCCC4)ccc23)c1.Cc1cc[n+](C)c(-c2c(C)ccc3c2oc2nc(C4CCCCC4)ccc23)c1.Cc1cc[n+](C)c(-c2c(C)ccc3c2oc2nc(CC(C)(C)C)ccc23)c1.Cc1cc[n+](C)c(-c2c(C)ccc3c2oc2nc(CC(C)C)ccc23)c1
• InChI: InChI=1S/C25H27N2O.C24H25N2O.C24H27N2O.2C23H25N2O.C22H23N2O/c1-16-13-14-27(3)22(15-16)23-17(2)9-10-19-20-11-12-21(18-7-5-4-6-8-18)26-25(20)28-24(19)23;1-15-12-13-26(3)21(14-15)22-16(2)8-9-18-19-10-11-20(17-6-4-5-7-17)25-24(19)27-23(18)22;1-15-11-12-26(6)20(13-15)21-16(2)7-9-18-19-10-8-17(14-24(3,4)5)25-23(19)27-22(18)21;1-14-11-12-25(6)18(13-14)20-15(2)7-8-16-17-9-10-19(23(3,4)5)24-22(17)26-21(16)20;1-14(2)12-17-7-9-19-18-8-6-16(4)21(22(18)26-23(19)24-17)20-13-15(3)10-11-25(20)5;1-13(2)18-9-8-17-16-7-6-15(4)20(21(16)25-22(17)23-18)19-12-14(3)10-11-24(19)5/h9-15,18H,4-8H2,1-3H3;8-14,17H,4-7H2,1-3H3;7-13H,14H2,1-6H3;7-13H,1-6H3;6-11,13-14H,12H2,1-5H3;6-13H,1-5H3/q6*+1
• InChIKey: IOAINZPUSDRUTF-UHFFFAOYSA-N
• XLogP: 33.45
• TPSA: 179.46 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2110.84
LogP ≤ 5	33.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-cyclohexyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-cyclopentyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-(2,2-dimethylpropyl)-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 2-tert-butyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-cyclohexyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-cyclopentyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-(2,2-dimethylpropyl)-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine (CID 158599624) is 2-tert-butyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-cyclohexyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-cyclopentyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-(2,2-dimethylpropyl)-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 2-tert-butyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-cyclohexyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-cyclopentyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-(2,2-dimethylpropyl)-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 2-tert-butyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-cyclohexyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-cyclopentyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-(2,2-dimethylpropyl)-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine is Cc1cc[n+](C)c(-c2c(C)ccc3c2oc2nc(C(C)(C)C)ccc23)c1.Cc1cc[n+](C)c(-c2c(C)ccc3c2oc2nc(C(C)C)ccc23)c1.Cc1cc[n+](C)c(-c2c(C)ccc3c2oc2nc(C4CCCC4)ccc23)c1.Cc1cc[n+](C)c(-c2c(C)ccc3c2oc2nc(C4CCCCC4)ccc23)c1.Cc1cc[n+](C)c(-c2c(C)ccc3c2oc2nc(CC(C)(C)C)ccc23)c1.Cc1cc[n+](C)c(-c2c(C)ccc3c2oc2nc(CC(C)C)ccc23)c1.

What is the InChIKey of 2-tert-butyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-cyclohexyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-cyclopentyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-(2,2-dimethylpropyl)-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?

The InChIKey is IOAINZPUSDRUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N2O.C24H25N2O.C24H27N2O.2C23H25N2O.C22H23N2O/c1-16-13-14-27(3)22(15-16)23-17(2)9-10-19-20-11-12-21(18-7-5-4-6-8-18)26-25(20)28-24(19)23;1-15-12-13-26(3)21(14-15)22-16(2)8-9-18-19-10-11-20(17-6-4-5-7-17)25-24(19)27-23(18)22;1-15-11-12-26(6)20(13-15)21-16(2)7-9-18-19-10-8-17(14-24(3,4)5)25-23(19)27-22(18)21;1-14-11-12-25(6)18(13-14)20-15(2)7-8-16-17-9-10-19(23(3,4)5)24-22(17)26-21(16)20;1-14(2)12-17-7-9-19-18-8-6-16(4)21(22(18)26-23(19)24-17)20-13-15(3)10-11-25(20)5;1-13(2)18-9-8-17-16-7-6-15(4)20(21(16)25-22(17)23-18)19-12-14(3)10-11-24(19)5/h9-15,18H,4-8H2,1-3H3;8-14,17H,4-7H2,1-3H3;7-13H,14H2,1-6H3;7-13H,1-6H3;6-11,13-14H,12H2,1-5H3;6-13H,1-5H3/q6*+1.

What are the key properties of 2-tert-butyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-cyclohexyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-cyclopentyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-(2,2-dimethylpropyl)-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?

2-tert-butyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-cyclohexyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-cyclopentyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-(2,2-dimethylpropyl)-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 2110.84 g/mol, XLogP of 33.45, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-cyclohexyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-cyclopentyl-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2-(2,2-dimethylpropyl)-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 158599624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158599624 — identifiers, structure, computed properties (public domain)

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