2-(2,4-dimethylphenyl)-1,6-dimethyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;2-(2-methoxy-6-methylphenyl)-3-(2-methoxyphenyl)-1,6-dimethyl-5-phenylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)-1,6-dimethyl-5-phenylpyrazin-1-ium

C124H110F2N8O4+4 — CID 159132029

About 2-(2,4-dimethylphenyl)-1,6-dimethyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;2-(2-methoxy-6-methylphenyl)-3-(2-methoxyphenyl)-1,6-dimethyl-5-phenylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)-1,6-dimethyl-5-phenylpyrazin-1-ium

2-(2,4-dimethylphenyl)-1,6-dimethyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;2-(2-methoxy-6-methylphenyl)-3-(2-methoxyphenyl)-1,6-dimethyl-5-phenylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)-1,6-dimethyl-5-phenylpyrazin-1-ium (PubChem CID 159132029) has the molecular formula C124H110F2N8O4+4 and a molecular weight of 1814.29 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-1,6-dimethyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;2-(2-methoxy-6-methylphenyl)-3-(2-methoxyphenyl)-1,6-dimethyl-5-phenylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)-1,6-dimethyl-5-phenylpyrazin-1-ium.

Molecular Properties

• Compound Name: 2-(2,4-dimethylphenyl)-1,6-dimethyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;2-(2-methoxy-6-methylphenyl)-3-(2-methoxyphenyl)-1,6-dimethyl-5-phenylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)-1,6-dimethyl-5-phenylpyrazin-1-ium
• PubChem CID: 159132029
• Molecular Formula: C124H110F2N8O4+4
• Molecular Weight: 1814.29 g/mol
• Exact Mass: 1812.86
• IUPAC Name: 2-(2,4-dimethylphenyl)-1,6-dimethyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;2-(2-methoxy-6-methylphenyl)-3-(2-methoxyphenyl)-1,6-dimethyl-5-phenylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)-1,6-dimethyl-5-phenylpyrazin-1-ium
• SMILES: COc1ccc(-c2nc(-c3ccccc3)c(C)[n+](C)c2-c2ccc(OC)cc2C)cc1.COc1ccccc1-c1nc(-c2ccccc2)c(C)[n+](C)c1-c1c(C)cccc1OC.Cc1cc(F)ccc1-c1c(-c2ccc(F)cc2)nc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c[n+]1C.Cc1ccc(-c2nc(-c3ccccc3)c(C)[n+](C)c2-c2ccc(C)cc2C)cc1
• InChI: InChI=1S/C43H29F2N2.2C27H27N2O2.C27H27N2/c1-26-23-30(45)20-22-31(26)42-41(27-15-18-29(44)19-16-27)46-40(25-47(42)2)28-17-21-35-34-11-5-8-14-38(34)43(39(35)24-28)36-12-6-3-9-32(36)33-10-4-7-13-37(33)43;1-18-12-11-17-23(31-5)24(18)27-26(21-15-9-10-16-22(21)30-4)28-25(19(2)29(27)3)20-13-7-6-8-14-20;1-18-17-23(31-5)15-16-24(18)27-26(21-11-13-22(30-4)14-12-21)28-25(19(2)29(27)3)20-9-7-6-8-10-20;1-18-11-14-23(15-12-18)26-27(24-16-13-19(2)17-20(24)3)29(5)21(4)25(28-26)22-9-7-6-8-10-22/h3-25H,1-2H3;2*6-17H,1-5H3;6-17H,1-5H3/q4*+1
• InChIKey: ZNOGRQLMJWUBRW-UHFFFAOYSA-N
• XLogP: 27.06
• TPSA: 104.00 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1814.29
LogP ≤ 5	27.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-1,6-dimethyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;2-(2-methoxy-6-methylphenyl)-3-(2-methoxyphenyl)-1,6-dimethyl-5-phenylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)-1,6-dimethyl-5-phenylpyrazin-1-ium?

The IUPAC name of 2-(2,4-dimethylphenyl)-1,6-dimethyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;2-(2-methoxy-6-methylphenyl)-3-(2-methoxyphenyl)-1,6-dimethyl-5-phenylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)-1,6-dimethyl-5-phenylpyrazin-1-ium (CID 159132029) is 2-(2,4-dimethylphenyl)-1,6-dimethyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;2-(2-methoxy-6-methylphenyl)-3-(2-methoxyphenyl)-1,6-dimethyl-5-phenylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)-1,6-dimethyl-5-phenylpyrazin-1-ium.

What is the SMILES notation for 2-(2,4-dimethylphenyl)-1,6-dimethyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;2-(2-methoxy-6-methylphenyl)-3-(2-methoxyphenyl)-1,6-dimethyl-5-phenylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)-1,6-dimethyl-5-phenylpyrazin-1-ium?

The canonical SMILES for 2-(2,4-dimethylphenyl)-1,6-dimethyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;2-(2-methoxy-6-methylphenyl)-3-(2-methoxyphenyl)-1,6-dimethyl-5-phenylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)-1,6-dimethyl-5-phenylpyrazin-1-ium is COc1ccc(-c2nc(-c3ccccc3)c(C)[n+](C)c2-c2ccc(OC)cc2C)cc1.COc1ccccc1-c1nc(-c2ccccc2)c(C)[n+](C)c1-c1c(C)cccc1OC.Cc1cc(F)ccc1-c1c(-c2ccc(F)cc2)nc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c[n+]1C.Cc1ccc(-c2nc(-c3ccccc3)c(C)[n+](C)c2-c2ccc(C)cc2C)cc1.

What is the InChIKey of 2-(2,4-dimethylphenyl)-1,6-dimethyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;2-(2-methoxy-6-methylphenyl)-3-(2-methoxyphenyl)-1,6-dimethyl-5-phenylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)-1,6-dimethyl-5-phenylpyrazin-1-ium?

The InChIKey is ZNOGRQLMJWUBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29F2N2.2C27H27N2O2.C27H27N2/c1-26-23-30(45)20-22-31(26)42-41(27-15-18-29(44)19-16-27)46-40(25-47(42)2)28-17-21-35-34-11-5-8-14-38(34)43(39(35)24-28)36-12-6-3-9-32(36)33-10-4-7-13-37(33)43;1-18-12-11-17-23(31-5)24(18)27-26(21-15-9-10-16-22(21)30-4)28-25(19(2)29(27)3)20-13-7-6-8-14-20;1-18-17-23(31-5)15-16-24(18)27-26(21-11-13-22(30-4)14-12-21)28-25(19(2)29(27)3)20-9-7-6-8-10-20;1-18-11-14-23(15-12-18)26-27(24-16-13-19(2)17-20(24)3)29(5)21(4)25(28-26)22-9-7-6-8-10-22/h3-25H,1-2H3;2*6-17H,1-5H3;6-17H,1-5H3/q4*+1.

What are the key properties of 2-(2,4-dimethylphenyl)-1,6-dimethyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;2-(2-methoxy-6-methylphenyl)-3-(2-methoxyphenyl)-1,6-dimethyl-5-phenylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)-1,6-dimethyl-5-phenylpyrazin-1-ium?

2-(2,4-dimethylphenyl)-1,6-dimethyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;2-(2-methoxy-6-methylphenyl)-3-(2-methoxyphenyl)-1,6-dimethyl-5-phenylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)-1,6-dimethyl-5-phenylpyrazin-1-ium has a molecular weight of 1814.29 g/mol, XLogP of 27.06, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dimethylphenyl)-1,6-dimethyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;2-(2-methoxy-6-methylphenyl)-3-(2-methoxyphenyl)-1,6-dimethyl-5-phenylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)-1,6-dimethyl-5-phenylpyrazin-1-ium is sourced from PubChem (CID 159132029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).