2-(3,5-difluoro-2-methylphenyl)-3-(3,5-difluorophenyl)-5-(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3,5-bis(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium;2-(2-methoxy-6-methylphenyl)-3-(2-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium;1-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]-3,5-bis[4-(trifluoromethyl)phenyl]pyrazin-1-ium

C177H141F24N14O4+7 — CID 159827420

About 2-(3,5-difluoro-2-methylphenyl)-3-(3,5-difluorophenyl)-5-(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3,5-bis(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium;2-(2-methoxy-6-methylphenyl)-3-(2-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium;1-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]-3,5-bis[4-(trifluoromethyl)phenyl]pyrazin-1-ium

2-(3,5-difluoro-2-methylphenyl)-3-(3,5-difluorophenyl)-5-(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3,5-bis(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium;2-(2-methoxy-6-methylphenyl)-3-(2-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium;1-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]-3,5-bis[4-(trifluoromethyl)phenyl]pyrazin-1-ium (PubChem CID 159827420) has the molecular formula C177H141F24N14O4+7 and a molecular weight of 2984.12 g/mol. Its IUPAC name is 2-(3,5-difluoro-2-methylphenyl)-3-(3,5-difluorophenyl)-5-(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3,5-bis(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium;2-(2-methoxy-6-methylphenyl)-3-(2-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium;1-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]-3,5-bis[4-(trifluoromethyl)phenyl]pyrazin-1-ium.

Molecular Properties

• Compound Name: 2-(3,5-difluoro-2-methylphenyl)-3-(3,5-difluorophenyl)-5-(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3,5-bis(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium;2-(2-methoxy-6-methylphenyl)-3-(2-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium;1-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]-3,5-bis[4-(trifluoromethyl)phenyl]pyrazin-1-ium
• PubChem CID: 159827420
• Molecular Formula: C177H141F24N14O4+7
• Molecular Weight: 2984.12 g/mol
• Exact Mass: 2982.08
• IUPAC Name: 2-(3,5-difluoro-2-methylphenyl)-3-(3,5-difluorophenyl)-5-(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3,5-bis(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium;2-(2-methoxy-6-methylphenyl)-3-(2-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium;1-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]-3,5-bis[4-(trifluoromethyl)phenyl]pyrazin-1-ium
• SMILES: COc1ccc(-c2nc(-c3ccccc3)c[n+](C)c2-c2ccc(OC)cc2C)cc1.COc1ccccc1-c1nc(-c2ccccc2)c[n+](C)c1-c1c(C)cccc1OC.Cc1c(F)cc(F)cc1-c1c(-c2cc(F)cc(F)c2)nc(-c2ccc(F)cc2)c[n+]1C.Cc1cc(C(F)(F)F)ccc1-c1c(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c[n+]1C.Cc1cc(F)ccc1-c1c(-c2ccc(F)cc2)nc(-c2c(F)c(F)c(F)c(F)c2F)c[n+]1C.Cc1cc(F)ccc1-c1c(-c2ccc(F)cc2)nc(-c2ccc(F)cc2)c[n+]1C.Cc1ccc(-c2nc(-c3ccccc3)c[n+](C)c2-c2ccc(C)cc2C)cc1
• InChI: InChI=1S/C27H18F9N2.2C26H25N2O2.C26H25N2.C24H14F7N2.C24H16F5N2.C24H18F3N2/c1-15-13-20(27(34,35)36)11-12-21(15)24-23(17-5-9-19(10-6-17)26(31,32)33)37-22(14-38(24)2)16-3-7-18(8-4-16)25(28,29)30;1-18-11-10-16-23(30-4)24(18)26-25(20-14-8-9-15-22(20)29-3)27-21(17-28(26)2)19-12-6-5-7-13-19;1-18-16-22(30-4)14-15-23(18)26-25(20-10-12-21(29-3)13-11-20)27-24(17-28(26)2)19-8-6-5-7-9-19;1-18-10-13-22(14-11-18)25-26(23-15-12-19(2)16-20(23)3)28(4)17-24(27-25)21-8-6-5-7-9-21;1-11-9-14(26)7-8-15(11)24-23(12-3-5-13(25)6-4-12)32-16(10-33(24)2)17-18(27)20(29)22(31)21(30)19(17)28;1-13-20(10-19(28)11-21(13)29)24-23(15-7-17(26)9-18(27)8-15)30-22(12-31(24)2)14-3-5-16(25)6-4-14;1-15-13-20(27)11-12-21(15)24-23(17-5-9-19(26)10-6-17)28-22(14-29(24)2)16-3-7-18(25)8-4-16/h3-14H,1-2H3;2*5-17H,1-4H3;5-17H,1-4H3;3-10H,1-2H3;3-12H,1-2H3;3-14H,1-2H3/q7*+1
• InChIKey: NVNLGPIOQFVXRS-UHFFFAOYSA-N
• XLogP: 42.30
• TPSA: 154.31 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 25
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2984.12
LogP ≤ 5	42.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-2-methylphenyl)-3-(3,5-difluorophenyl)-5-(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3,5-bis(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium;2-(2-methoxy-6-methylphenyl)-3-(2-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium;1-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]-3,5-bis[4-(trifluoromethyl)phenyl]pyrazin-1-ium?

The IUPAC name of 2-(3,5-difluoro-2-methylphenyl)-3-(3,5-difluorophenyl)-5-(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3,5-bis(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium;2-(2-methoxy-6-methylphenyl)-3-(2-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium;1-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]-3,5-bis[4-(trifluoromethyl)phenyl]pyrazin-1-ium (CID 159827420) is 2-(3,5-difluoro-2-methylphenyl)-3-(3,5-difluorophenyl)-5-(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3,5-bis(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium;2-(2-methoxy-6-methylphenyl)-3-(2-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium;1-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]-3,5-bis[4-(trifluoromethyl)phenyl]pyrazin-1-ium.

What is the SMILES notation for 2-(3,5-difluoro-2-methylphenyl)-3-(3,5-difluorophenyl)-5-(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3,5-bis(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium;2-(2-methoxy-6-methylphenyl)-3-(2-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium;1-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]-3,5-bis[4-(trifluoromethyl)phenyl]pyrazin-1-ium?

The canonical SMILES for 2-(3,5-difluoro-2-methylphenyl)-3-(3,5-difluorophenyl)-5-(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3,5-bis(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium;2-(2-methoxy-6-methylphenyl)-3-(2-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium;1-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]-3,5-bis[4-(trifluoromethyl)phenyl]pyrazin-1-ium is COc1ccc(-c2nc(-c3ccccc3)c[n+](C)c2-c2ccc(OC)cc2C)cc1.COc1ccccc1-c1nc(-c2ccccc2)c[n+](C)c1-c1c(C)cccc1OC.Cc1c(F)cc(F)cc1-c1c(-c2cc(F)cc(F)c2)nc(-c2ccc(F)cc2)c[n+]1C.Cc1cc(C(F)(F)F)ccc1-c1c(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c[n+]1C.Cc1cc(F)ccc1-c1c(-c2ccc(F)cc2)nc(-c2c(F)c(F)c(F)c(F)c2F)c[n+]1C.Cc1cc(F)ccc1-c1c(-c2ccc(F)cc2)nc(-c2ccc(F)cc2)c[n+]1C.Cc1ccc(-c2nc(-c3ccccc3)c[n+](C)c2-c2ccc(C)cc2C)cc1.

What is the InChIKey of 2-(3,5-difluoro-2-methylphenyl)-3-(3,5-difluorophenyl)-5-(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3,5-bis(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium;2-(2-methoxy-6-methylphenyl)-3-(2-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium;1-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]-3,5-bis[4-(trifluoromethyl)phenyl]pyrazin-1-ium?

The InChIKey is NVNLGPIOQFVXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F9N2.2C26H25N2O2.C26H25N2.C24H14F7N2.C24H16F5N2.C24H18F3N2/c1-15-13-20(27(34,35)36)11-12-21(15)24-23(17-5-9-19(10-6-17)26(31,32)33)37-22(14-38(24)2)16-3-7-18(8-4-16)25(28,29)30;1-18-11-10-16-23(30-4)24(18)26-25(20-14-8-9-15-22(20)29-3)27-21(17-28(26)2)19-12-6-5-7-13-19;1-18-16-22(30-4)14-15-23(18)26-25(20-10-12-21(29-3)13-11-20)27-24(17-28(26)2)19-8-6-5-7-9-19;1-18-10-13-22(14-11-18)25-26(23-15-12-19(2)16-20(23)3)28(4)17-24(27-25)21-8-6-5-7-9-21;1-11-9-14(26)7-8-15(11)24-23(12-3-5-13(25)6-4-12)32-16(10-33(24)2)17-18(27)20(29)22(31)21(30)19(17)28;1-13-20(10-19(28)11-21(13)29)24-23(15-7-17(26)9-18(27)8-15)30-22(12-31(24)2)14-3-5-16(25)6-4-14;1-15-13-20(27)11-12-21(15)24-23(17-5-9-19(26)10-6-17)28-22(14-29(24)2)16-3-7-18(25)8-4-16/h3-14H,1-2H3;2*5-17H,1-4H3;5-17H,1-4H3;3-10H,1-2H3;3-12H,1-2H3;3-14H,1-2H3/q7*+1.

What are the key properties of 2-(3,5-difluoro-2-methylphenyl)-3-(3,5-difluorophenyl)-5-(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3,5-bis(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium;2-(2-methoxy-6-methylphenyl)-3-(2-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium;1-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]-3,5-bis[4-(trifluoromethyl)phenyl]pyrazin-1-ium?

2-(3,5-difluoro-2-methylphenyl)-3-(3,5-difluorophenyl)-5-(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3,5-bis(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium;2-(2-methoxy-6-methylphenyl)-3-(2-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium;1-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]-3,5-bis[4-(trifluoromethyl)phenyl]pyrazin-1-ium has a molecular weight of 2984.12 g/mol, XLogP of 42.30, 25 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-difluoro-2-methylphenyl)-3-(3,5-difluorophenyl)-5-(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3,5-bis(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium;2-(2-methoxy-6-methylphenyl)-3-(2-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium;1-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]-3,5-bis[4-(trifluoromethyl)phenyl]pyrazin-1-ium is sourced from PubChem (CID 159827420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).