2,3,5,6-tetrakis[(E)-2-(4-fluorophenyl)ethenyl]pyrazine

C36H24F4N2 — CID 132966323

IUPAC2,3,5,6-tetrakis[(E)-2-(4-fluorophenyl)ethenyl]pyrazine
SMILESFc1ccc(/C=C/c2nc(/C=C/c3ccc(F)cc3)c(/C=C/c3ccc(F)cc3)nc2/C=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C36H24F4N2/c37-29-13-1-25(2-14-29)9-21-33-34(22-10-26-3-15-30(38)16-4-26)42-36(24-12-28-7-19-32(40)20-8-28)35(41-33)23-11-27-5-17-31(39)18-6-27/h1-24H/b21-9+,22-10+,23-11+,24-12+
InChIKeyLXTZLPYBRMHQFT-DCLBUZTQSA-N
MW560.59 g/mol
LogP9.71
Rot. Bonds8

About 2,3,5,6-tetrakis[(E)-2-(4-fluorophenyl)ethenyl]pyrazine

2,3,5,6-tetrakis[(E)-2-(4-fluorophenyl)ethenyl]pyrazine (PubChem CID 132966323) has the molecular formula C36H24F4N2 and a molecular weight of 560.59 g/mol. Its IUPAC name is 2,3,5,6-tetrakis[(E)-2-(4-fluorophenyl)ethenyl]pyrazine.

Molecular Properties

Compound Name2,3,5,6-tetrakis[(E)-2-(4-fluorophenyl)ethenyl]pyrazine
PubChem CID132966323
Molecular FormulaC36H24F4N2
Molecular Weight560.59 g/mol
Exact Mass560.19
IUPAC Name2,3,5,6-tetrakis[(E)-2-(4-fluorophenyl)ethenyl]pyrazine
SMILESFc1ccc(/C=C/c2nc(/C=C/c3ccc(F)cc3)c(/C=C/c3ccc(F)cc3)nc2/C=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C36H24F4N2/c37-29-13-1-25(2-14-29)9-21-33-34(22-10-26-3-15-30(38)16-4-26)42-36(24-12-28-7-19-32(40)20-8-28)35(41-33)23-11-27-5-17-31(39)18-6-27/h1-24H/b21-9+,22-10+,23-11+,24-12+
InChIKeyLXTZLPYBRMHQFT-DCLBUZTQSA-N
XLogP9.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.59
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3,5,6-tetrakis[(E)-2-(4-fluorophenyl)ethenyl]pyrazine with MolForge

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Related Compounds

2,3,5,6-Tetraphenylpyrazine
CID 275938
2,3,5,6-tetrakis[(E)-2-phenylethenyl]pyrazine
CID 22345819
2,3,5,6-Tetrabenzylpyrazine
CID 14712404
2,5-Bis(4-fluorophenyl)-3,6-diphenylpyrazine
CID 634538
2,3,5,6-Tetrakis[4-(trifluoromethyl)phenyl]pyrazine
CID 132966316
2,3,5,6-Tetrakis[3-(trifluoromethyl)phenyl]pyrazine
CID 132966319
2-(4-Fluoro-2-methylphenyl)-3-(4-fluorophenyl)-6-methyl-5-(4-phenylphenyl)pyrazine
CID 71137075
2-[2-(4-Fluorophenyl)ethenyl]-3,5,6-trimethylpyrazine
CID 76514157
2-[2-(2-Fluorophenyl)ethenyl]-3,5,6-trimethylpyrazine
CID 76514238
7-[4-[2,3-Bis(4-fluorophenyl)-7,8-dihydroquinoxalin-6-yl]cyclohexa-1,3-dien-1-yl]-2-(4-fluorocyclohexa-1,5-dien-1-yl)-3-(4-fluorophenyl)-5,6-dihydroquinoxaline
CID 89187954
2-(4-Fluoro-2-methylphenyl)-3-(4-fluorophenyl)-6-methyl-5-(3-phenylphenyl)pyrazine
CID 89803511
2,3,5-Triphenyl-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrazine
CID 176747453

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrakis[(E)-2-(4-fluorophenyl)ethenyl]pyrazine?
The IUPAC name of 2,3,5,6-tetrakis[(E)-2-(4-fluorophenyl)ethenyl]pyrazine (CID 132966323) is 2,3,5,6-tetrakis[(E)-2-(4-fluorophenyl)ethenyl]pyrazine.
What is the SMILES notation for 2,3,5,6-tetrakis[(E)-2-(4-fluorophenyl)ethenyl]pyrazine?
The canonical SMILES for 2,3,5,6-tetrakis[(E)-2-(4-fluorophenyl)ethenyl]pyrazine is Fc1ccc(/C=C/c2nc(/C=C/c3ccc(F)cc3)c(/C=C/c3ccc(F)cc3)nc2/C=C/c2ccc(F)cc2)cc1.
What is the InChIKey of 2,3,5,6-tetrakis[(E)-2-(4-fluorophenyl)ethenyl]pyrazine?
The InChIKey is LXTZLPYBRMHQFT-DCLBUZTQSA-N. The full InChI is InChI=1S/C36H24F4N2/c37-29-13-1-25(2-14-29)9-21-33-34(22-10-26-3-15-30(38)16-4-26)42-36(24-12-28-7-19-32(40)20-8-28)35(41-33)23-11-27-5-17-31(39)18-6-27/h1-24H/b21-9+,22-10+,23-11+,24-12+.
What are the key properties of 2,3,5,6-tetrakis[(E)-2-(4-fluorophenyl)ethenyl]pyrazine?
2,3,5,6-tetrakis[(E)-2-(4-fluorophenyl)ethenyl]pyrazine has a molecular weight of 560.59 g/mol, XLogP of 9.71, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrakis[(E)-2-(4-fluorophenyl)ethenyl]pyrazine is sourced from PubChem (CID 132966323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).