1,5-dimethyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyrazin-1-ium;2-(7,9-dimethylnaphtho[1,2-b][1]benzofuran-10-yl)-1-methylpyrazin-1-ium;bis(2-(8,9-dimethylnaphtho[1,2-b][1]benzofuran-10-yl)-1-methylpyrazin-1-ium);1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)-5-(trideuteriomethyl)pyrazin-1-ium

C115H95N10O5+5 — CID 162214400

About 1,5-dimethyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyrazin-1-ium;2-(7,9-dimethylnaphtho[1,2-b][1]benzofuran-10-yl)-1-methylpyrazin-1-ium;bis(2-(8,9-dimethylnaphtho[1,2-b][1]benzofuran-10-yl)-1-methylpyrazin-1-ium);1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)-5-(trideuteriomethyl)pyrazin-1-ium

1,5-dimethyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyrazin-1-ium;2-(7,9-dimethylnaphtho[1,2-b][1]benzofuran-10-yl)-1-methylpyrazin-1-ium;bis(2-(8,9-dimethylnaphtho[1,2-b][1]benzofuran-10-yl)-1-methylpyrazin-1-ium);1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)-5-(trideuteriomethyl)pyrazin-1-ium (PubChem CID 162214400) has the molecular formula C115H95N10O5+5 and a molecular weight of 1700.11 g/mol. Its IUPAC name is 1,5-dimethyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyrazin-1-ium;2-(7,9-dimethylnaphtho[1,2-b][1]benzofuran-10-yl)-1-methylpyrazin-1-ium;bis(2-(8,9-dimethylnaphtho[1,2-b][1]benzofuran-10-yl)-1-methylpyrazin-1-ium);1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)-5-(trideuteriomethyl)pyrazin-1-ium.

Molecular Properties

• Compound Name: 1,5-dimethyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyrazin-1-ium;2-(7,9-dimethylnaphtho[1,2-b][1]benzofuran-10-yl)-1-methylpyrazin-1-ium;bis(2-(8,9-dimethylnaphtho[1,2-b][1]benzofuran-10-yl)-1-methylpyrazin-1-ium);1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)-5-(trideuteriomethyl)pyrazin-1-ium
• PubChem CID: 162214400
• Molecular Formula: C115H95N10O5+5
• Molecular Weight: 1700.11 g/mol
• Exact Mass: 1698.76
• IUPAC Name: 1,5-dimethyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyrazin-1-ium;2-(7,9-dimethylnaphtho[1,2-b][1]benzofuran-10-yl)-1-methylpyrazin-1-ium;bis(2-(8,9-dimethylnaphtho[1,2-b][1]benzofuran-10-yl)-1-methylpyrazin-1-ium);1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)-5-(trideuteriomethyl)pyrazin-1-ium
• SMILES: Cc1c[n+](C)c(-c2c(C)ccc3c2oc2c4ccccc4ccc32)cn1.Cc1cc(C)c2c(oc3c4ccccc4ccc32)c1-c1cncc[n+]1C.Cc1cc2c(oc3c4ccccc4ccc23)c(-c2cncc[n+]2C)c1C.Cc1cc2c(oc3c4ccccc4ccc23)c(-c2cncc[n+]2C)c1C.[2H]C([2H])([2H])c1c[n+](C)c(-c2c(C)ccc3c2oc2c4ccccc4ccc32)cn1
• InChI: InChI=1S/5C23H19N2O/c2*1-14-8-10-19-18-11-9-16-6-4-5-7-17(16)22(18)26-23(19)21(14)20-12-24-15(2)13-25(20)3;2*1-14-12-19-18-9-8-16-6-4-5-7-17(16)22(18)26-23(19)21(15(14)2)20-13-24-10-11-25(20)3;1-14-12-15(2)21(19-13-24-10-11-25(19)3)23-20(14)18-9-8-16-6-4-5-7-17(16)22(18)26-23/h5*4-13H,1-3H3/q5*+1/i2D3
• InChIKey: SITRQWTUWNRXDE-NOYBVTDPSA-N
• XLogP: 26.21
• TPSA: 149.55 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1700.11
LogP ≤ 5	26.21
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[1,2-b][1]benzofuran-10-yl)pyrazin-1-ium;2-(7,9-dimethylnaphtho[1,2-b][1]benzofuran-10-yl)-1-methylpyrazin-1-ium;bis(2-(8,9-dimethylnaphtho[1,2-b][1]benzofuran-10-yl)-1-methylpyrazin-1-ium);1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)-5-(trideuteriomethyl)pyrazin-1-ium?

The IUPAC name of 1,5-dimethyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyrazin-1-ium;2-(7,9-dimethylnaphtho[1,2-b][1]benzofuran-10-yl)-1-methylpyrazin-1-ium;bis(2-(8,9-dimethylnaphtho[1,2-b][1]benzofuran-10-yl)-1-methylpyrazin-1-ium);1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)-5-(trideuteriomethyl)pyrazin-1-ium (CID 162214400) is 1,5-dimethyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyrazin-1-ium;2-(7,9-dimethylnaphtho[1,2-b][1]benzofuran-10-yl)-1-methylpyrazin-1-ium;bis(2-(8,9-dimethylnaphtho[1,2-b][1]benzofuran-10-yl)-1-methylpyrazin-1-ium);1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)-5-(trideuteriomethyl)pyrazin-1-ium.

What is the SMILES notation for 1,5-dimethyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyrazin-1-ium;2-(7,9-dimethylnaphtho[1,2-b][1]benzofuran-10-yl)-1-methylpyrazin-1-ium;bis(2-(8,9-dimethylnaphtho[1,2-b][1]benzofuran-10-yl)-1-methylpyrazin-1-ium);1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)-5-(trideuteriomethyl)pyrazin-1-ium?

The canonical SMILES for 1,5-dimethyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyrazin-1-ium;2-(7,9-dimethylnaphtho[1,2-b][1]benzofuran-10-yl)-1-methylpyrazin-1-ium;bis(2-(8,9-dimethylnaphtho[1,2-b][1]benzofuran-10-yl)-1-methylpyrazin-1-ium);1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)-5-(trideuteriomethyl)pyrazin-1-ium is Cc1c[n+](C)c(-c2c(C)ccc3c2oc2c4ccccc4ccc32)cn1.Cc1cc(C)c2c(oc3c4ccccc4ccc32)c1-c1cncc[n+]1C.Cc1cc2c(oc3c4ccccc4ccc23)c(-c2cncc[n+]2C)c1C.Cc1cc2c(oc3c4ccccc4ccc23)c(-c2cncc[n+]2C)c1C.[2H]C([2H])([2H])c1c[n+](C)c(-c2c(C)ccc3c2oc2c4ccccc4ccc32)cn1.

What is the InChIKey of 1,5-dimethyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyrazin-1-ium;2-(7,9-dimethylnaphtho[1,2-b][1]benzofuran-10-yl)-1-methylpyrazin-1-ium;bis(2-(8,9-dimethylnaphtho[1,2-b][1]benzofuran-10-yl)-1-methylpyrazin-1-ium);1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)-5-(trideuteriomethyl)pyrazin-1-ium?

The InChIKey is SITRQWTUWNRXDE-NOYBVTDPSA-N. The full InChI is InChI=1S/5C23H19N2O/c2*1-14-8-10-19-18-11-9-16-6-4-5-7-17(16)22(18)26-23(19)21(14)20-12-24-15(2)13-25(20)3;2*1-14-12-19-18-9-8-16-6-4-5-7-17(16)22(18)26-23(19)21(15(14)2)20-13-24-10-11-25(20)3;1-14-12-15(2)21(19-13-24-10-11-25(19)3)23-20(14)18-9-8-16-6-4-5-7-17(16)22(18)26-23/h5*4-13H,1-3H3/q5*+1/i2D3;;;;.

What are the key properties of 1,5-dimethyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyrazin-1-ium;2-(7,9-dimethylnaphtho[1,2-b][1]benzofuran-10-yl)-1-methylpyrazin-1-ium;bis(2-(8,9-dimethylnaphtho[1,2-b][1]benzofuran-10-yl)-1-methylpyrazin-1-ium);1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)-5-(trideuteriomethyl)pyrazin-1-ium?

1,5-dimethyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyrazin-1-ium;2-(7,9-dimethylnaphtho[1,2-b][1]benzofuran-10-yl)-1-methylpyrazin-1-ium;bis(2-(8,9-dimethylnaphtho[1,2-b][1]benzofuran-10-yl)-1-methylpyrazin-1-ium);1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)-5-(trideuteriomethyl)pyrazin-1-ium has a molecular weight of 1700.11 g/mol, XLogP of 26.21, 6 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[1,2-b][1]benzofuran-10-yl)pyrazin-1-ium;2-(7,9-dimethylnaphtho[1,2-b][1]benzofuran-10-yl)-1-methylpyrazin-1-ium;bis(2-(8,9-dimethylnaphtho[1,2-b][1]benzofuran-10-yl)-1-methylpyrazin-1-ium);1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)-5-(trideuteriomethyl)pyrazin-1-ium is sourced from PubChem (CID 162214400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).