2,3,5,6-tetrakis(4-fluorophenyl)pyrazine

C28H16F4N2 — CID 132966321

IUPAC2,3,5,6-tetrakis(4-fluorophenyl)pyrazine
SMILESFc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C28H16F4N2/c29-21-9-1-17(2-10-21)25-26(18-3-11-22(30)12-4-18)34-28(20-7-15-24(32)16-8-20)27(33-25)19-5-13-23(31)14-6-19/h1-16H
InChIKeyBFYRXWOXAXZKOJ-UHFFFAOYSA-N
MW456.44 g/mol
LogP7.70
Rot. Bonds4

About 2,3,5,6-tetrakis(4-fluorophenyl)pyrazine

2,3,5,6-tetrakis(4-fluorophenyl)pyrazine (PubChem CID 132966321) has the molecular formula C28H16F4N2 and a molecular weight of 456.44 g/mol. Its IUPAC name is 2,3,5,6-tetrakis(4-fluorophenyl)pyrazine.

Molecular Properties

Compound Name2,3,5,6-tetrakis(4-fluorophenyl)pyrazine
PubChem CID132966321
Molecular FormulaC28H16F4N2
Molecular Weight456.44 g/mol
Exact Mass456.12
IUPAC Name2,3,5,6-tetrakis(4-fluorophenyl)pyrazine
SMILESFc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C28H16F4N2/c29-21-9-1-17(2-10-21)25-26(18-3-11-22(30)12-4-18)34-28(20-7-15-24(32)16-8-20)27(33-25)19-5-13-23(31)14-6-19/h1-16H
InChIKeyBFYRXWOXAXZKOJ-UHFFFAOYSA-N
XLogP7.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.44
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-4,5-bis(4-fluorophenyl)-1H-imidazole
CID 68616974
2,6-bis(4-fluorophenyl)-3-iodopyridine
CID 46313594
2-(4-fluorophenyl)-3,4,5,6-tetramethylpyridine
CID 162298886
2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine
CID 139681938
2,3-bis(4-fluorophenyl)pyrido[2,3-b]pyrazine
CID 23738510
3-chloro-2,6-bis(4-fluorophenyl)pyridine
CID 46313516
1,4-bis(4-fluorophenyl)benzo[g]phthalazine
CID 71420428
2-[5-(dicyanomethyl)-2,3,7,8-tetrakis(4-fluorophenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]propanedinitrile
CID 130356765
6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 63617964
2,3-bis(4-fluorophenyl)-5-methylquinoxaline
CID 5052636
2,3-bis(4-fluorophenyl)-6-phenylimidazo[1,2-b][1,2,4]triazine
CID 70789952

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrakis(4-fluorophenyl)pyrazine?
The IUPAC name of 2,3,5,6-tetrakis(4-fluorophenyl)pyrazine (CID 132966321) is 2,3,5,6-tetrakis(4-fluorophenyl)pyrazine.
What is the SMILES notation for 2,3,5,6-tetrakis(4-fluorophenyl)pyrazine?
The canonical SMILES for 2,3,5,6-tetrakis(4-fluorophenyl)pyrazine is Fc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 2,3,5,6-tetrakis(4-fluorophenyl)pyrazine?
The InChIKey is BFYRXWOXAXZKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16F4N2/c29-21-9-1-17(2-10-21)25-26(18-3-11-22(30)12-4-18)34-28(20-7-15-24(32)16-8-20)27(33-25)19-5-13-23(31)14-6-19/h1-16H.
What are the key properties of 2,3,5,6-tetrakis(4-fluorophenyl)pyrazine?
2,3,5,6-tetrakis(4-fluorophenyl)pyrazine has a molecular weight of 456.44 g/mol, XLogP of 7.70, 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-fluorophenyl)pyrazine is sourced from PubChem (CID 132966321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).