2-(3,5-difluoro-2-methylphenyl)-3-(3,5-difluorophenyl)-5-(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;1,2-dimethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]-3,5-bis[4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3,5-bis(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1,6-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium

C103H74F24N8+4 — CID 160771049

IUPAC2-(3,5-difluoro-2-methylphenyl)-3-(3,5-difluorophenyl)-5-(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;1,2-dimethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]-3,5-bis[4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3,5-bis(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1,6-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium
SMILESCc1c(F)cc(F)cc1-c1c(-c2cc(F)cc(F)c2)nc(-c2ccc(F)cc2)c(C)[n+]1C.Cc1cc(C(F)(F)F)ccc1-c1c(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c(C)[n+]1C.Cc1cc(F)ccc1-c1c(-c2ccc(F)cc2)nc(-c2c(F)c(F)c(F)c(F)c2F)c(C)[n+]1C.Cc1cc(F)ccc1-c1c(-c2ccc(F)cc2)nc(-c2ccc(F)cc2)c(C)[n+]1C
InChIInChI=1S/C28H20F9N2.C25H16F7N2.C25H18F5N2.C25H20F3N2/c1-15-14-21(28(35,36)37)12-13-22(15)25-24(18-6-10-20(11-7-18)27(32,33)34)38-23(16(2)39(25)3)17-4-8-19(9-5-17)26(29,30)31;1-11-10-15(27)8-9-16(11)25-24(13-4-6-14(26)7-5-13)33-23(12(2)34(25)3)17-18(28)20(30)22(32)21(31)19(17)29;1-13-21(11-20(29)12-22(13)30)25-24(16-8-18(27)10-19(28)9-16)31-23(14(2)32(25)3)15-4-6-17(26)7-5-15;1-15-14-21(28)12-13-22(15)25-24(18-6-10-20(27)11-7-18)29-23(16(2)30(25)3)17-4-8-19(26)9-5-17/h4-14H,1-3H3;4-10H,1-3H3;4-12H,1-3H3;4-14H,1-3H3/q4*+1
InChIKeyQCEXOSFJDAZIEP-UHFFFAOYSA-N
MW1879.73 g/mol
LogP27.24
Rot. Bonds12

About 2-(3,5-difluoro-2-methylphenyl)-3-(3,5-difluorophenyl)-5-(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;1,2-dimethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]-3,5-bis[4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3,5-bis(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1,6-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium

2-(3,5-difluoro-2-methylphenyl)-3-(3,5-difluorophenyl)-5-(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;1,2-dimethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]-3,5-bis[4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3,5-bis(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1,6-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium (PubChem CID 160771049) has the molecular formula C103H74F24N8+4 and a molecular weight of 1879.73 g/mol. Its IUPAC name is 2-(3,5-difluoro-2-methylphenyl)-3-(3,5-difluorophenyl)-5-(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;1,2-dimethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]-3,5-bis[4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3,5-bis(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1,6-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium.

Molecular Properties

Compound Name2-(3,5-difluoro-2-methylphenyl)-3-(3,5-difluorophenyl)-5-(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;1,2-dimethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]-3,5-bis[4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3,5-bis(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1,6-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium
PubChem CID160771049
Molecular FormulaC103H74F24N8+4
Molecular Weight1879.73 g/mol
Exact Mass1878.56
IUPAC Name2-(3,5-difluoro-2-methylphenyl)-3-(3,5-difluorophenyl)-5-(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;1,2-dimethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]-3,5-bis[4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3,5-bis(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1,6-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium
SMILESCc1c(F)cc(F)cc1-c1c(-c2cc(F)cc(F)c2)nc(-c2ccc(F)cc2)c(C)[n+]1C.Cc1cc(C(F)(F)F)ccc1-c1c(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c(C)[n+]1C.Cc1cc(F)ccc1-c1c(-c2ccc(F)cc2)nc(-c2c(F)c(F)c(F)c(F)c2F)c(C)[n+]1C.Cc1cc(F)ccc1-c1c(-c2ccc(F)cc2)nc(-c2ccc(F)cc2)c(C)[n+]1C
InChIInChI=1S/C28H20F9N2.C25H16F7N2.C25H18F5N2.C25H20F3N2/c1-15-14-21(28(35,36)37)12-13-22(15)25-24(18-6-10-20(11-7-18)27(32,33)34)38-23(16(2)39(25)3)17-4-8-19(9-5-17)26(29,30)31;1-11-10-15(27)8-9-16(11)25-24(13-4-6-14(26)7-5-13)33-23(12(2)34(25)3)17-18(28)20(30)22(32)21(31)19(17)29;1-13-21(11-20(29)12-22(13)30)25-24(16-8-18(27)10-19(28)9-16)31-23(14(2)32(25)3)15-4-6-17(26)7-5-15;1-15-14-21(28)12-13-22(15)25-24(18-6-10-20(27)11-7-18)29-23(16(2)30(25)3)17-4-8-19(26)9-5-17/h4-14H,1-3H3;4-10H,1-3H3;4-12H,1-3H3;4-14H,1-3H3/q4*+1
InChIKeyQCEXOSFJDAZIEP-UHFFFAOYSA-N
XLogP27.24
TPSA67.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001879.73
LogP ≤ 527.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze 2-(3,5-difluoro-2-methylphenyl)-3-(3,5-difluorophenyl)-5-(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;1,2-dimethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]-3,5-bis[4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3,5-bis(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1,6-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium with MolForge

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Related Compounds

3-(3,5-difluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3,5-diphenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(2,3,4,5,6-pentafluorophenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazin-1-ium;3-(4-fluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium
CID 160771770
2,4-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]benzene
CID 169072337
2,3,5-trifluoro-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine
CID 11437757
1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium
CID 58991414
3-fluoro-2-methyl-4-[4-(trifluoromethyl)phenyl]aniline
CID 171906268
1,2,4,5-tetrafluoro-3-methyl-6-[4-(trifluoromethyl)phenyl]benzene
CID 134628457
2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(3-phenylphenyl)pyrazin-1-ium
CID 58991444
[(4Z)-5-(2,4-difluorophenyl)-2-(2-fluoro-4-methylphenyl)-4-isocyanoiminocyclohexa-2,5-dien-1-ylidene]cyanamide;[(4Z)-5-(3,5-difluorophenyl)-2-(3-fluoro-5-methylphenyl)-4-isocyanoiminocyclohexa-2,5-dien-1-ylidene]cyanamide;[(4Z)-5-(4-fluorophenyl)-4-isocyanoimino-2-(4-methylphenyl)cyclohexa-2,5-dien-1-ylidene]cyanamide;[(4Z)-4-isocyanoimino-5-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclohexa-2,5-dien-1-ylidene]cyanamide;[(4Z)-4-isocyanoimino-5-(2,3,4,5,6-pentafluorophenyl)-2-(2,3,5,6-tetrafluoro-4-methylphenyl)cyclohexa-2,5-dien-1-ylidene]cyanamide
CID 172957786
2-(2-fluorophenyl)-6-[3-(2-fluorophenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxaline;2-(3-fluorophenyl)-6-[3-(3-fluorophenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxaline;2-(4-fluorophenyl)-6-[3-(4-fluorophenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxaline;3-(2-fluorophenyl)-6-[3-(2-fluorophenyl)-2-phenylquinoxalin-6-yl]-2-phenylquinoxaline;3-(3-fluorophenyl)-6-[3-(3-fluorophenyl)-2-phenylquinoxalin-6-yl]-2-phenylquinoxaline;3-(4-fluorophenyl)-6-[3-(4-fluorophenyl)-2-phenylquinoxalin-6-yl]-2-phenylquinoxaline;2-phenyl-6-[3-phenyl-2-[3-(trifluoromethyl)phenyl]quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]quinoxaline;2-phenyl-6-[3-phenyl-2-[4-(trifluoromethyl)phenyl]quinoxalin-6-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline
CID 158181187
7-(2,4-difluorophenyl)-6-methyl-2-[4-(trifluoromethyl)phenyl]-3H-imidazo[2,1-e]pyrazole
CID 141350142
1-[4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]ethanone
CID 102755531
5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)pyridine
CID 144704292

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-2-methylphenyl)-3-(3,5-difluorophenyl)-5-(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;1,2-dimethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]-3,5-bis[4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3,5-bis(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1,6-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium?
The IUPAC name of 2-(3,5-difluoro-2-methylphenyl)-3-(3,5-difluorophenyl)-5-(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;1,2-dimethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]-3,5-bis[4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3,5-bis(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1,6-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium (CID 160771049) is 2-(3,5-difluoro-2-methylphenyl)-3-(3,5-difluorophenyl)-5-(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;1,2-dimethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]-3,5-bis[4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3,5-bis(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1,6-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium.
What is the SMILES notation for 2-(3,5-difluoro-2-methylphenyl)-3-(3,5-difluorophenyl)-5-(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;1,2-dimethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]-3,5-bis[4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3,5-bis(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1,6-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium?
The canonical SMILES for 2-(3,5-difluoro-2-methylphenyl)-3-(3,5-difluorophenyl)-5-(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;1,2-dimethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]-3,5-bis[4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3,5-bis(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1,6-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium is Cc1c(F)cc(F)cc1-c1c(-c2cc(F)cc(F)c2)nc(-c2ccc(F)cc2)c(C)[n+]1C.Cc1cc(C(F)(F)F)ccc1-c1c(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c(C)[n+]1C.Cc1cc(F)ccc1-c1c(-c2ccc(F)cc2)nc(-c2c(F)c(F)c(F)c(F)c2F)c(C)[n+]1C.Cc1cc(F)ccc1-c1c(-c2ccc(F)cc2)nc(-c2ccc(F)cc2)c(C)[n+]1C.
What is the InChIKey of 2-(3,5-difluoro-2-methylphenyl)-3-(3,5-difluorophenyl)-5-(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;1,2-dimethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]-3,5-bis[4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3,5-bis(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1,6-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium?
The InChIKey is QCEXOSFJDAZIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F9N2.C25H16F7N2.C25H18F5N2.C25H20F3N2/c1-15-14-21(28(35,36)37)12-13-22(15)25-24(18-6-10-20(11-7-18)27(32,33)34)38-23(16(2)39(25)3)17-4-8-19(9-5-17)26(29,30)31;1-11-10-15(27)8-9-16(11)25-24(13-4-6-14(26)7-5-13)33-23(12(2)34(25)3)17-18(28)20(30)22(32)21(31)19(17)29;1-13-21(11-20(29)12-22(13)30)25-24(16-8-18(27)10-19(28)9-16)31-23(14(2)32(25)3)15-4-6-17(26)7-5-15;1-15-14-21(28)12-13-22(15)25-24(18-6-10-20(27)11-7-18)29-23(16(2)30(25)3)17-4-8-19(26)9-5-17/h4-14H,1-3H3;4-10H,1-3H3;4-12H,1-3H3;4-14H,1-3H3/q4*+1.
What are the key properties of 2-(3,5-difluoro-2-methylphenyl)-3-(3,5-difluorophenyl)-5-(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;1,2-dimethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]-3,5-bis[4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3,5-bis(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1,6-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium?
2-(3,5-difluoro-2-methylphenyl)-3-(3,5-difluorophenyl)-5-(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;1,2-dimethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]-3,5-bis[4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3,5-bis(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1,6-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium has a molecular weight of 1879.73 g/mol, XLogP of 27.24, 12 rotatable bonds, 0 hydrogen bond donors, and 4 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)-1,6-dimethylpyrazin-1-ium;1,2-dimethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]-3,5-bis[4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3,5-bis(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1,6-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)pyrazin-1-ium is sourced from PubChem (CID 160771049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).