1,5-dimethyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazin-1-ium;2-(9,10-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyrazin-1-ium;2-(9,11-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyrazin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrimidin-1-ium

C113H91N10O5+5 — CID 161383879

About 1,5-dimethyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazin-1-ium;2-(9,10-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyrazin-1-ium;2-(9,11-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyrazin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrimidin-1-ium

1,5-dimethyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazin-1-ium;2-(9,10-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyrazin-1-ium;2-(9,11-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyrazin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrimidin-1-ium (PubChem CID 161383879) has the molecular formula C113H91N10O5+5 and a molecular weight of 1669.04 g/mol. Its IUPAC name is 1,5-dimethyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazin-1-ium;2-(9,10-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyrazin-1-ium;2-(9,11-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyrazin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrimidin-1-ium.

Molecular Properties

• Compound Name: 1,5-dimethyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazin-1-ium;2-(9,10-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyrazin-1-ium;2-(9,11-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyrazin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrimidin-1-ium
• PubChem CID: 161383879
• Molecular Formula: C113H91N10O5+5
• Molecular Weight: 1669.04 g/mol
• Exact Mass: 1667.71
• IUPAC Name: 1,5-dimethyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazin-1-ium;2-(9,10-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyrazin-1-ium;2-(9,11-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyrazin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrimidin-1-ium
• SMILES: Cc1c[n+](C)c(-c2c(C)ccc3c2oc2ccc4ccccc4c23)cn1.Cc1cc(C)c2c(oc3ccc4ccccc4c32)c1-c1cncc[n+]1C.Cc1cc2c(oc3ccc4ccccc4c32)c(-c2cncc[n+]2C)c1C.Cc1ccc2c(oc3ccc4ccccc4c32)c1-c1cncc[n+]1C.Cc1ccc2c(oc3ccc4ccccc4c32)c1-c1nccc[n+]1C
• InChI: InChI=1S/3C23H19N2O.2C22H17N2O/c1-14-8-10-18-22-17-7-5-4-6-16(17)9-11-20(22)26-23(18)21(14)19-12-24-15(2)13-25(19)3;1-14-12-18-22-17-7-5-4-6-16(17)8-9-20(22)26-23(18)21(15(14)2)19-13-24-10-11-25(19)3;1-14-12-15(2)21-22-17-7-5-4-6-16(17)8-9-19(22)26-23(21)20(14)18-13-24-10-11-25(18)3;1-14-8-10-17-20-16-7-4-3-6-15(16)9-11-18(20)25-21(17)19(14)22-23-12-5-13-24(22)2;1-14-7-9-17-21-16-6-4-3-5-15(16)8-10-19(21)25-22(17)20(14)18-13-23-11-12-24(18)2/h3*4-13H,1-3H3;2*3-13H,1-2H3/q5*+1
• InChIKey: VADWSVGEQOXZLA-UHFFFAOYSA-N
• XLogP: 25.60
• TPSA: 149.55 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1669.04
LogP ≤ 5	25.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazin-1-ium;2-(9,10-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyrazin-1-ium;2-(9,11-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyrazin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrimidin-1-ium?

The IUPAC name of 1,5-dimethyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazin-1-ium;2-(9,10-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyrazin-1-ium;2-(9,11-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyrazin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrimidin-1-ium (CID 161383879) is 1,5-dimethyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazin-1-ium;2-(9,10-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyrazin-1-ium;2-(9,11-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyrazin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrimidin-1-ium.

What is the SMILES notation for 1,5-dimethyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazin-1-ium;2-(9,10-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyrazin-1-ium;2-(9,11-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyrazin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrimidin-1-ium?

The canonical SMILES for 1,5-dimethyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazin-1-ium;2-(9,10-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyrazin-1-ium;2-(9,11-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyrazin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrimidin-1-ium is Cc1c[n+](C)c(-c2c(C)ccc3c2oc2ccc4ccccc4c23)cn1.Cc1cc(C)c2c(oc3ccc4ccccc4c32)c1-c1cncc[n+]1C.Cc1cc2c(oc3ccc4ccccc4c32)c(-c2cncc[n+]2C)c1C.Cc1ccc2c(oc3ccc4ccccc4c32)c1-c1cncc[n+]1C.Cc1ccc2c(oc3ccc4ccccc4c32)c1-c1nccc[n+]1C.

What is the InChIKey of 1,5-dimethyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazin-1-ium;2-(9,10-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyrazin-1-ium;2-(9,11-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyrazin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrimidin-1-ium?

The InChIKey is VADWSVGEQOXZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C23H19N2O.2C22H17N2O/c1-14-8-10-18-22-17-7-5-4-6-16(17)9-11-20(22)26-23(18)21(14)19-12-24-15(2)13-25(19)3;1-14-12-18-22-17-7-5-4-6-16(17)8-9-20(22)26-23(18)21(15(14)2)19-13-24-10-11-25(19)3;1-14-12-15(2)21-22-17-7-5-4-6-16(17)8-9-19(22)26-23(21)20(14)18-13-24-10-11-25(18)3;1-14-8-10-17-20-16-7-4-3-6-15(16)9-11-18(20)25-21(17)19(14)22-23-12-5-13-24(22)2;1-14-7-9-17-21-16-6-4-3-5-15(16)8-10-19(21)25-22(17)20(14)18-13-23-11-12-24(18)2/h3*4-13H,1-3H3;2*3-13H,1-2H3/q5*+1.

What are the key properties of 1,5-dimethyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazin-1-ium;2-(9,10-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyrazin-1-ium;2-(9,11-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyrazin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrimidin-1-ium?

1,5-dimethyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazin-1-ium;2-(9,10-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyrazin-1-ium;2-(9,11-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyrazin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrimidin-1-ium has a molecular weight of 1669.04 g/mol, XLogP of 25.60, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-dimethyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazin-1-ium;2-(9,10-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyrazin-1-ium;2-(9,11-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyrazin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazin-1-ium;1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrimidin-1-ium is sourced from PubChem (CID 161383879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).