2-(1,3-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1,5-dimethyl-4-phenylpyridin-1-ium;2-(3,9-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1,5-dimethyl-4-phenylpyridin-1-ium;2-(3,9-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1-methyl-4-phenylpyridin-1-ium;1,5-dimethyl-4-phenyl-2-(1,3,9-trimethylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium

C124H104N4O4+4 — CID 159419074

About 2-(1,3-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1,5-dimethyl-4-phenylpyridin-1-ium;2-(3,9-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1,5-dimethyl-4-phenylpyridin-1-ium;2-(3,9-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1-methyl-4-phenylpyridin-1-ium;1,5-dimethyl-4-phenyl-2-(1,3,9-trimethylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium

2-(1,3-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1,5-dimethyl-4-phenylpyridin-1-ium;2-(3,9-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1,5-dimethyl-4-phenylpyridin-1-ium;2-(3,9-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1-methyl-4-phenylpyridin-1-ium;1,5-dimethyl-4-phenyl-2-(1,3,9-trimethylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium (PubChem CID 159419074) has the molecular formula C124H104N4O4+4 and a molecular weight of 1714.22 g/mol. Its IUPAC name is 2-(1,3-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1,5-dimethyl-4-phenylpyridin-1-ium;2-(3,9-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1,5-dimethyl-4-phenylpyridin-1-ium;2-(3,9-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1-methyl-4-phenylpyridin-1-ium;1,5-dimethyl-4-phenyl-2-(1,3,9-trimethylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium.

Molecular Properties

• Compound Name: 2-(1,3-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1,5-dimethyl-4-phenylpyridin-1-ium;2-(3,9-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1,5-dimethyl-4-phenylpyridin-1-ium;2-(3,9-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1-methyl-4-phenylpyridin-1-ium;1,5-dimethyl-4-phenyl-2-(1,3,9-trimethylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium
• PubChem CID: 159419074
• Molecular Formula: C124H104N4O4+4
• Molecular Weight: 1714.22 g/mol
• Exact Mass: 1712.80
• IUPAC Name: 2-(1,3-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1,5-dimethyl-4-phenylpyridin-1-ium;2-(3,9-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1,5-dimethyl-4-phenylpyridin-1-ium;2-(3,9-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1-methyl-4-phenylpyridin-1-ium;1,5-dimethyl-4-phenyl-2-(1,3,9-trimethylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium
• SMILES: Cc1c[n+](C)c(-c2c(C)cc(C)c3c2oc2cc4ccccc4cc23)cc1-c1ccccc1.Cc1ccc2cc3oc4c(-c5cc(-c6ccccc6)c(C)c[n+]5C)c(C)cc(C)c4c3cc2c1.Cc1ccc2cc3oc4c(-c5cc(-c6ccccc6)c(C)c[n+]5C)c(C)ccc4c3cc2c1.Cc1ccc2cc3oc4c(-c5cc(-c6ccccc6)cc[n+]5C)c(C)ccc4c3cc2c1
• InChI: InChI=1S/C32H28NO.2C31H26NO.C30H24NO/c1-19-11-12-24-16-29-27(15-25(24)13-19)30-20(2)14-21(3)31(32(30)34-29)28-17-26(22(4)18-33(28)5)23-9-7-6-8-10-23;1-19-14-20(2)30(27-17-25(21(3)18-32(27)4)22-10-6-5-7-11-22)31-29(19)26-15-23-12-8-9-13-24(23)16-28(26)33-31;1-19-10-12-23-16-29-27(15-24(23)14-19)25-13-11-20(2)30(31(25)33-29)28-17-26(21(3)18-32(28)4)22-8-6-5-7-9-22;1-19-9-11-22-18-28-26(16-24(22)15-19)25-12-10-20(2)29(30(25)32-28)27-17-23(13-14-31(27)3)21-7-5-4-6-8-21/h6-18H,1-5H3;2*5-18H,1-4H3;4-18H,1-3H3/q4*+1
• InChIKey: OKLGSMPJKMCQAU-UHFFFAOYSA-N
• XLogP: 31.29
• TPSA: 68.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1714.22
LogP ≤ 5	31.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1,5-dimethyl-4-phenylpyridin-1-ium;2-(3,9-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1,5-dimethyl-4-phenylpyridin-1-ium;2-(3,9-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1-methyl-4-phenylpyridin-1-ium;1,5-dimethyl-4-phenyl-2-(1,3,9-trimethylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium?

The IUPAC name of 2-(1,3-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1,5-dimethyl-4-phenylpyridin-1-ium;2-(3,9-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1,5-dimethyl-4-phenylpyridin-1-ium;2-(3,9-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1-methyl-4-phenylpyridin-1-ium;1,5-dimethyl-4-phenyl-2-(1,3,9-trimethylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium (CID 159419074) is 2-(1,3-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1,5-dimethyl-4-phenylpyridin-1-ium;2-(3,9-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1,5-dimethyl-4-phenylpyridin-1-ium;2-(3,9-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1-methyl-4-phenylpyridin-1-ium;1,5-dimethyl-4-phenyl-2-(1,3,9-trimethylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium.

What is the SMILES notation for 2-(1,3-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1,5-dimethyl-4-phenylpyridin-1-ium;2-(3,9-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1,5-dimethyl-4-phenylpyridin-1-ium;2-(3,9-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1-methyl-4-phenylpyridin-1-ium;1,5-dimethyl-4-phenyl-2-(1,3,9-trimethylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium?

The canonical SMILES for 2-(1,3-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1,5-dimethyl-4-phenylpyridin-1-ium;2-(3,9-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1,5-dimethyl-4-phenylpyridin-1-ium;2-(3,9-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1-methyl-4-phenylpyridin-1-ium;1,5-dimethyl-4-phenyl-2-(1,3,9-trimethylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium is Cc1c[n+](C)c(-c2c(C)cc(C)c3c2oc2cc4ccccc4cc23)cc1-c1ccccc1.Cc1ccc2cc3oc4c(-c5cc(-c6ccccc6)c(C)c[n+]5C)c(C)cc(C)c4c3cc2c1.Cc1ccc2cc3oc4c(-c5cc(-c6ccccc6)c(C)c[n+]5C)c(C)ccc4c3cc2c1.Cc1ccc2cc3oc4c(-c5cc(-c6ccccc6)cc[n+]5C)c(C)ccc4c3cc2c1.

What is the InChIKey of 2-(1,3-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1,5-dimethyl-4-phenylpyridin-1-ium;2-(3,9-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1,5-dimethyl-4-phenylpyridin-1-ium;2-(3,9-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1-methyl-4-phenylpyridin-1-ium;1,5-dimethyl-4-phenyl-2-(1,3,9-trimethylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium?

The InChIKey is OKLGSMPJKMCQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28NO.2C31H26NO.C30H24NO/c1-19-11-12-24-16-29-27(15-25(24)13-19)30-20(2)14-21(3)31(32(30)34-29)28-17-26(22(4)18-33(28)5)23-9-7-6-8-10-23;1-19-14-20(2)30(27-17-25(21(3)18-32(27)4)22-10-6-5-7-11-22)31-29(19)26-15-23-12-8-9-13-24(23)16-28(26)33-31;1-19-10-12-23-16-29-27(15-24(23)14-19)25-13-11-20(2)30(31(25)33-29)28-17-26(21(3)18-32(28)4)22-8-6-5-7-9-22;1-19-9-11-22-18-28-26(16-24(22)15-19)25-12-10-20(2)29(30(25)32-28)27-17-23(13-14-31(27)3)21-7-5-4-6-8-21/h6-18H,1-5H3;2*5-18H,1-4H3;4-18H,1-3H3/q4*+1.

What are the key properties of 2-(1,3-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1,5-dimethyl-4-phenylpyridin-1-ium;2-(3,9-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1,5-dimethyl-4-phenylpyridin-1-ium;2-(3,9-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1-methyl-4-phenylpyridin-1-ium;1,5-dimethyl-4-phenyl-2-(1,3,9-trimethylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium?

2-(1,3-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1,5-dimethyl-4-phenylpyridin-1-ium;2-(3,9-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1,5-dimethyl-4-phenylpyridin-1-ium;2-(3,9-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1-methyl-4-phenylpyridin-1-ium;1,5-dimethyl-4-phenyl-2-(1,3,9-trimethylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium has a molecular weight of 1714.22 g/mol, XLogP of 31.29, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1,5-dimethyl-4-phenylpyridin-1-ium;2-(3,9-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1,5-dimethyl-4-phenylpyridin-1-ium;2-(3,9-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1-methyl-4-phenylpyridin-1-ium;1,5-dimethyl-4-phenyl-2-(1,3,9-trimethylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium is sourced from PubChem (CID 159419074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).