5-(3,5-difluorophenyl)-1-methyl-2-(2-methylphenyl)-3-phenylpyrazin-1-ium

C24H19F2N2+ — CID 58991387

IUPAC5-(3,5-difluorophenyl)-1-methyl-2-(2-methylphenyl)-3-phenylpyrazin-1-ium
SMILESCc1ccccc1-c1c(-c2ccccc2)nc(-c2cc(F)cc(F)c2)c[n+]1C
InChIInChI=1S/C24H19F2N2/c1-16-8-6-7-11-21(16)24-23(17-9-4-3-5-10-17)27-22(15-28(24)2)18-12-19(25)14-20(26)13-18/h3-15H,1-2H3/q+1
InChIKeyVLUXYAGLQQUYHD-UHFFFAOYSA-N
MW373.43 g/mol
LogP5.49
Rot. Bonds3

About 5-(3,5-difluorophenyl)-1-methyl-2-(2-methylphenyl)-3-phenylpyrazin-1-ium

5-(3,5-difluorophenyl)-1-methyl-2-(2-methylphenyl)-3-phenylpyrazin-1-ium (PubChem CID 58991387) has the molecular formula C24H19F2N2+ and a molecular weight of 373.43 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-1-methyl-2-(2-methylphenyl)-3-phenylpyrazin-1-ium.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-1-methyl-2-(2-methylphenyl)-3-phenylpyrazin-1-ium
PubChem CID58991387
Molecular FormulaC24H19F2N2+
Molecular Weight373.43 g/mol
Exact Mass373.15
IUPAC Name5-(3,5-difluorophenyl)-1-methyl-2-(2-methylphenyl)-3-phenylpyrazin-1-ium
SMILESCc1ccccc1-c1c(-c2ccccc2)nc(-c2cc(F)cc(F)c2)c[n+]1C
InChIInChI=1S/C24H19F2N2/c1-16-8-6-7-11-21(16)24-23(17-9-4-3-5-10-17)27-22(15-28(24)2)18-12-19(25)14-20(26)13-18/h3-15H,1-2H3/q+1
InChIKeyVLUXYAGLQQUYHD-UHFFFAOYSA-N
XLogP5.49
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.43
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-(2-methylphenyl)-5-phenyl-3-(4-phenylphenyl)pyrazin-1-ium
CID 58991462
2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(3-phenylphenyl)pyrazin-1-ium
CID 58991444
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
3-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazin-1-ium;3-(9,9-dimethylfluoren-2-yl)-2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium
CID 160656237
1,3-dimethyl-2-(2-methylphenyl)-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium
CID 58991322
1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-(3-phenylphenyl)pyrazin-1-ium
CID 58991449
5-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-naphthalen-1-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-naphthalen-2-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(2-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(3-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(4-phenylphenyl)pyrazin-1-ium
CID 158376889
2-methyl-1-(2-methylphenyl)-4-phenylisoquinolin-2-ium
CID 153369780
1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium
CID 58991414
1,2-dimethyl-6-(2-methylphenyl)-3-naphthalen-1-yl-5-phenylpyrazin-1-ium
CID 58991395
2-fluoro-1-(3-fluorophenyl)-3-methylbenzene
CID 46313946
3-(9,9-dimethylfluoren-2-yl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium
CID 58991398

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-1-methyl-2-(2-methylphenyl)-3-phenylpyrazin-1-ium?
The IUPAC name of 5-(3,5-difluorophenyl)-1-methyl-2-(2-methylphenyl)-3-phenylpyrazin-1-ium (CID 58991387) is 5-(3,5-difluorophenyl)-1-methyl-2-(2-methylphenyl)-3-phenylpyrazin-1-ium.
What is the SMILES notation for 5-(3,5-difluorophenyl)-1-methyl-2-(2-methylphenyl)-3-phenylpyrazin-1-ium?
The canonical SMILES for 5-(3,5-difluorophenyl)-1-methyl-2-(2-methylphenyl)-3-phenylpyrazin-1-ium is Cc1ccccc1-c1c(-c2ccccc2)nc(-c2cc(F)cc(F)c2)c[n+]1C.
What is the InChIKey of 5-(3,5-difluorophenyl)-1-methyl-2-(2-methylphenyl)-3-phenylpyrazin-1-ium?
The InChIKey is VLUXYAGLQQUYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N2/c1-16-8-6-7-11-21(16)24-23(17-9-4-3-5-10-17)27-22(15-28(24)2)18-12-19(25)14-20(26)13-18/h3-15H,1-2H3/q+1.
What are the key properties of 5-(3,5-difluorophenyl)-1-methyl-2-(2-methylphenyl)-3-phenylpyrazin-1-ium?
5-(3,5-difluorophenyl)-1-methyl-2-(2-methylphenyl)-3-phenylpyrazin-1-ium has a molecular weight of 373.43 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)-1-methyl-2-(2-methylphenyl)-3-phenylpyrazin-1-ium is sourced from PubChem (CID 58991387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).