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

C23H15F3N2 — CID 59806456

IUPAC2,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazine
SMILESFC(F)(F)c1ccc(-c2cnc(-c3ccccc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H15F3N2/c24-23(25,26)19-13-11-16(12-14-19)20-15-27-21(17-7-3-1-4-8-17)22(28-20)18-9-5-2-6-10-18/h1-15H
InChIKeySZGMYMJULCBYFQ-UHFFFAOYSA-N
MW376.38 g/mol
LogP6.50
Rot. Bonds3

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

2,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazine (PubChem CID 59806456) has the molecular formula C23H15F3N2 and a molecular weight of 376.38 g/mol. Its IUPAC name is 2,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazine.

Molecular Properties

Compound Name2,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazine
PubChem CID59806456
Molecular FormulaC23H15F3N2
Molecular Weight376.38 g/mol
Exact Mass376.12
IUPAC Name2,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazine
SMILESFC(F)(F)c1ccc(-c2cnc(-c3ccccc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H15F3N2/c24-23(25,26)19-13-11-16(12-14-19)20-15-27-21(17-7-3-1-4-8-17)22(28-20)18-9-5-2-6-10-18/h1-15H
InChIKeySZGMYMJULCBYFQ-UHFFFAOYSA-N
XLogP6.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.38
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-diphenyl-5-(4-phenylphenyl)pyrazine
CID 58991364
2,3-bis(3,5-dimethylphenyl)-5-(4-phenylphenyl)pyrazine
CID 118103502
7,10-diphenyl-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-b]pyrazine
CID 58224563
2,3,6-triphenyl-4,5-bis[4-(trifluoromethyl)phenyl]pyridine
CID 102130644
2,6-bis[4-(trifluoromethyl)phenyl]pyrazine
CID 44532794
iridium;tris(2-phenyl-5-(trifluoromethyl)pyridine)
CID 173119875
3-benzyl-5-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 10568339
4-phenyl-1-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 162537238
3,4-diphenyl-6-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]isoquinoline
CID 138974613
3-amino-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
CID 155817766
(E)-2,3-bis[3,5-bis(trifluoromethyl)phenyl]-N-isocyanoindeno[1,2-b]pyrazin-9-imine;(E)-2,3-bis(4-fluorophenyl)-N-isocyanoindeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-2,3-bis[3-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-2-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-3-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine
CID 172943629
2-[4-(trifluoromethyl)phenyl]benzo[f]isoquinoline
CID 59470271

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazine?
The IUPAC name of 2,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazine (CID 59806456) is 2,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazine.
What is the SMILES notation for 2,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazine?
The canonical SMILES for 2,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazine is FC(F)(F)c1ccc(-c2cnc(-c3ccccc3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 2,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazine?
The InChIKey is SZGMYMJULCBYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N2/c24-23(25,26)19-13-11-16(12-14-19)20-15-27-21(17-7-3-1-4-8-17)22(28-20)18-9-5-2-6-10-18/h1-15H.
What are the key properties of 2,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazine?
2,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazine has a molecular weight of 376.38 g/mol, XLogP of 6.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazine is sourced from PubChem (CID 59806456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).