2,3,5,6-tetrakis[4-(trifluoromethyl)phenyl]pyrazine

C32H16F12N2 — CID 132966316

IUPAC2,3,5,6-tetrakis[4-(trifluoromethyl)phenyl]pyrazine
SMILESFC(F)(F)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(C(F)(F)F)cc3)nc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C32H16F12N2/c33-29(34,35)21-9-1-17(2-10-21)25-26(18-3-11-22(12-4-18)30(36,37)38)46-28(20-7-15-24(16-8-20)32(42,43)44)27(45-25)19-5-13-23(14-6-19)31(39,40)41/h1-16H
InChIKeyFHLCNDWALVUVSC-UHFFFAOYSA-N
MW656.47 g/mol
LogP11.22
Rot. Bonds4

About 2,3,5,6-tetrakis[4-(trifluoromethyl)phenyl]pyrazine

2,3,5,6-tetrakis[4-(trifluoromethyl)phenyl]pyrazine (PubChem CID 132966316) has the molecular formula C32H16F12N2 and a molecular weight of 656.47 g/mol. Its IUPAC name is 2,3,5,6-tetrakis[4-(trifluoromethyl)phenyl]pyrazine.

Molecular Properties

Compound Name2,3,5,6-tetrakis[4-(trifluoromethyl)phenyl]pyrazine
PubChem CID132966316
Molecular FormulaC32H16F12N2
Molecular Weight656.47 g/mol
Exact Mass656.11
IUPAC Name2,3,5,6-tetrakis[4-(trifluoromethyl)phenyl]pyrazine
SMILESFC(F)(F)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(C(F)(F)F)cc3)nc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C32H16F12N2/c33-29(34,35)21-9-1-17(2-10-21)25-26(18-3-11-22(12-4-18)30(36,37)38)46-28(20-7-15-24(16-8-20)32(42,43)44)27(45-25)19-5-13-23(14-6-19)31(39,40)41/h1-16H
InChIKeyFHLCNDWALVUVSC-UHFFFAOYSA-N
XLogP11.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.47
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,5,6-Tetraphenylpyrazine
CID 275938
2,6-Bis[4-(trifluoromethyl)phenyl]pyrazine
CID 44532794
5-[4-(5,6-Dicyano-3-phenylpyrazin-2-yl)phenyl]-6-phenylpyrazine-2,3-dicarbonitrile
CID 13007266
Pyrazine, 2,5-dimethyl-3,6-diphenyl-
CID 108611
2-Chloro-3,5,6-triphenylpyrazine
CID 402190
2-(Heptafluoropropyl)-3-phenylquinoxaline
CID 4232416
4,4'-Methanediylbis(2,6-diphenylpyridine)
CID 1888328
6-Fluoro-2,3-bis(4-methylphenyl)quinoxaline
CID 5001968
2,6-Bis[2-(4-phenylphenyl)ethynyl]pyridine
CID 71605896
2,3-Dicyano-5,6-bis(4-fluorophenyl)-pyrazine
CID 12078402
3-[4-(Trifluoromethyl)phenyl]-2-methylquinoxaline
CID 58090543
2,6-Bis(4-cyanophenyl)-4-(4'-fluoro-[1,1'-biphenyl]-4-yl)pyridine-3,5-dicarbonitrile
CID 176522051

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrakis[4-(trifluoromethyl)phenyl]pyrazine?
The IUPAC name of 2,3,5,6-tetrakis[4-(trifluoromethyl)phenyl]pyrazine (CID 132966316) is 2,3,5,6-tetrakis[4-(trifluoromethyl)phenyl]pyrazine.
What is the SMILES notation for 2,3,5,6-tetrakis[4-(trifluoromethyl)phenyl]pyrazine?
The canonical SMILES for 2,3,5,6-tetrakis[4-(trifluoromethyl)phenyl]pyrazine is FC(F)(F)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(C(F)(F)F)cc3)nc2-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 2,3,5,6-tetrakis[4-(trifluoromethyl)phenyl]pyrazine?
The InChIKey is FHLCNDWALVUVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H16F12N2/c33-29(34,35)21-9-1-17(2-10-21)25-26(18-3-11-22(12-4-18)30(36,37)38)46-28(20-7-15-24(16-8-20)32(42,43)44)27(45-25)19-5-13-23(14-6-19)31(39,40)41/h1-16H.
What are the key properties of 2,3,5,6-tetrakis[4-(trifluoromethyl)phenyl]pyrazine?
2,3,5,6-tetrakis[4-(trifluoromethyl)phenyl]pyrazine has a molecular weight of 656.47 g/mol, XLogP of 11.22, 4 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[4-(trifluoromethyl)phenyl]pyrazine is sourced from PubChem (CID 132966316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).