2,7-dimethyl-8-[1-methyl-4-(4-propan-2-ylphenyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;8-[4-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-1-methylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine

C103H106N12O3+4 — CID 157120520

About 2,7-dimethyl-8-[1-methyl-4-(4-propan-2-ylphenyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;8-[4-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-1-methylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine

2,7-dimethyl-8-[1-methyl-4-(4-propan-2-ylphenyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;8-[4-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-1-methylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 157120520) has the molecular formula C103H106N12O3+4 and a molecular weight of 1560.06 g/mol. Its IUPAC name is 2,7-dimethyl-8-[1-methyl-4-(4-propan-2-ylphenyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;8-[4-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-1-methylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 2,7-dimethyl-8-[1-methyl-4-(4-propan-2-ylphenyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;8-[4-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-1-methylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 157120520
• Molecular Formula: C103H106N12O3+4
• Molecular Weight: 1560.06 g/mol
• Exact Mass: 1558.85
• IUPAC Name: 2,7-dimethyl-8-[1-methyl-4-(4-propan-2-ylphenyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;8-[4-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-1-methylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1ccc2c(n1)oc1c(-c3cc(-c4ccc(C(C)C)cc4)cc[n+]3C)c(C)ccc12.Cc1ccc2c(n1)oc1c(-c3cc(-c4ccccn4)cc[n+]3C)c(C)ccc12.Cc1ccc2c(n1)oc1c(-c3cc(-c4nc(C(C)C)nc(C(C)C)n4)cc[n+]3C)c(C)ccc12.Cc1ccccc1-c1n(-c2c(C(C)C)cccc2C(C)C)cc[n+]1C
• InChI: InChI=1S/C28H30N5O.C28H27N2O.C24H20N3O.C23H29N2/c1-15(2)25-30-26(16(3)4)32-27(31-25)19-12-13-33(7)22(14-19)23-17(5)8-10-20-21-11-9-18(6)29-28(21)34-24(20)23;1-17(2)20-8-10-21(11-9-20)22-14-15-30(5)25(16-22)26-18(3)6-12-23-24-13-7-19(4)29-28(24)31-27(23)26;1-15-7-9-18-19-10-8-16(2)26-24(19)28-23(18)22(15)21-14-17(11-13-27(21)3)20-6-4-5-12-25-20;1-16(2)19-12-9-13-20(17(3)4)22(19)25-15-14-24(6)23(25)21-11-8-7-10-18(21)5/h8-16H,1-7H3;6-17H,1-5H3;4-14H,1-3H3;7-17H,1-6H3/q4*+1
• InChIKey: ITMHOEXPAVTEKM-UHFFFAOYSA-N
• XLogP: 23.74
• TPSA: 150.10 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1560.06
LogP ≤ 5	23.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-8-[1-methyl-4-(4-propan-2-ylphenyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;8-[4-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-1-methylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 2,7-dimethyl-8-[1-methyl-4-(4-propan-2-ylphenyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;8-[4-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-1-methylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine (CID 157120520) is 2,7-dimethyl-8-[1-methyl-4-(4-propan-2-ylphenyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;8-[4-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-1-methylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 2,7-dimethyl-8-[1-methyl-4-(4-propan-2-ylphenyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;8-[4-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-1-methylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 2,7-dimethyl-8-[1-methyl-4-(4-propan-2-ylphenyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;8-[4-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-1-methylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3cc(-c4ccc(C(C)C)cc4)cc[n+]3C)c(C)ccc12.Cc1ccc2c(n1)oc1c(-c3cc(-c4ccccn4)cc[n+]3C)c(C)ccc12.Cc1ccc2c(n1)oc1c(-c3cc(-c4nc(C(C)C)nc(C(C)C)n4)cc[n+]3C)c(C)ccc12.Cc1ccccc1-c1n(-c2c(C(C)C)cccc2C(C)C)cc[n+]1C.

What is the InChIKey of 2,7-dimethyl-8-[1-methyl-4-(4-propan-2-ylphenyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;8-[4-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-1-methylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine?

The InChIKey is ITMHOEXPAVTEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N5O.C28H27N2O.C24H20N3O.C23H29N2/c1-15(2)25-30-26(16(3)4)32-27(31-25)19-12-13-33(7)22(14-19)23-17(5)8-10-20-21-11-9-18(6)29-28(21)34-24(20)23;1-17(2)20-8-10-21(11-9-20)22-14-15-30(5)25(16-22)26-18(3)6-12-23-24-13-7-19(4)29-28(24)31-27(23)26;1-15-7-9-18-19-10-8-16(2)26-24(19)28-23(18)22(15)21-14-17(11-13-27(21)3)20-6-4-5-12-25-20;1-16(2)19-12-9-13-20(17(3)4)22(19)25-15-14-24(6)23(25)21-11-8-7-10-18(21)5/h8-16H,1-7H3;6-17H,1-5H3;4-14H,1-3H3;7-17H,1-6H3/q4*+1.

What are the key properties of 2,7-dimethyl-8-[1-methyl-4-(4-propan-2-ylphenyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;8-[4-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-1-methylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine?

2,7-dimethyl-8-[1-methyl-4-(4-propan-2-ylphenyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;8-[4-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-1-methylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 1560.06 g/mol, XLogP of 23.74, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-dimethyl-8-[1-methyl-4-(4-propan-2-ylphenyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;8-[4-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-1-methylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 157120520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).