2,5-bis(4-fluorophenyl)-3,6-diphenylpyrazine

C28H18F2N2 — CID 634538

IUPAC2,5-bis(4-fluorophenyl)-3,6-diphenylpyrazine
SMILESFc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(F)cc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C28H18F2N2/c29-23-15-11-21(12-16-23)27-25(19-7-3-1-4-8-19)31-28(22-13-17-24(30)18-14-22)26(32-27)20-9-5-2-6-10-20/h1-18H
InChIKeyJIBJUGKXZUYJST-UHFFFAOYSA-N
MW420.46 g/mol
LogP7.42
Rot. Bonds4

About 2,5-bis(4-fluorophenyl)-3,6-diphenylpyrazine

2,5-bis(4-fluorophenyl)-3,6-diphenylpyrazine (PubChem CID 634538) has the molecular formula C28H18F2N2 and a molecular weight of 420.46 g/mol. Its IUPAC name is 2,5-bis(4-fluorophenyl)-3,6-diphenylpyrazine.

Molecular Properties

Compound Name2,5-bis(4-fluorophenyl)-3,6-diphenylpyrazine
PubChem CID634538
Molecular FormulaC28H18F2N2
Molecular Weight420.46 g/mol
Exact Mass420.14
IUPAC Name2,5-bis(4-fluorophenyl)-3,6-diphenylpyrazine
SMILESFc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(F)cc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C28H18F2N2/c29-23-15-11-21(12-16-23)27-25(19-7-3-1-4-8-19)31-28(22-13-17-24(30)18-14-22)26(32-27)20-9-5-2-6-10-20/h1-18H
InChIKeyJIBJUGKXZUYJST-UHFFFAOYSA-N
XLogP7.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.46
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-fluorophenyl)-3,6-diphenylpyrazine?
The IUPAC name of 2,5-bis(4-fluorophenyl)-3,6-diphenylpyrazine (CID 634538) is 2,5-bis(4-fluorophenyl)-3,6-diphenylpyrazine.
What is the SMILES notation for 2,5-bis(4-fluorophenyl)-3,6-diphenylpyrazine?
The canonical SMILES for 2,5-bis(4-fluorophenyl)-3,6-diphenylpyrazine is Fc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(F)cc3)nc2-c2ccccc2)cc1.
What is the InChIKey of 2,5-bis(4-fluorophenyl)-3,6-diphenylpyrazine?
The InChIKey is JIBJUGKXZUYJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18F2N2/c29-23-15-11-21(12-16-23)27-25(19-7-3-1-4-8-19)31-28(22-13-17-24(30)18-14-22)26(32-27)20-9-5-2-6-10-20/h1-18H.
What are the key properties of 2,5-bis(4-fluorophenyl)-3,6-diphenylpyrazine?
2,5-bis(4-fluorophenyl)-3,6-diphenylpyrazine has a molecular weight of 420.46 g/mol, XLogP of 7.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-fluorophenyl)-3,6-diphenylpyrazine is sourced from PubChem (CID 634538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).