2-chloro-3-(4-chlorophenyl)-5,6-diphenylpyrazine

C22H14Cl2N2 — CID 155576945

IUPAC2-chloro-3-(4-chlorophenyl)-5,6-diphenylpyrazine
SMILESClc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)nc2Cl)cc1
InChIInChI=1S/C22H14Cl2N2/c23-18-13-11-17(12-14-18)21-22(24)26-20(16-9-5-2-6-10-16)19(25-21)15-7-3-1-4-8-15/h1-14H
InChIKeyVURACUMXXIIPKT-UHFFFAOYSA-N
MW377.27 g/mol
LogP6.78
Rot. Bonds3

About 2-chloro-3-(4-chlorophenyl)-5,6-diphenylpyrazine

2-chloro-3-(4-chlorophenyl)-5,6-diphenylpyrazine (PubChem CID 155576945) has the molecular formula C22H14Cl2N2 and a molecular weight of 377.27 g/mol. Its IUPAC name is 2-chloro-3-(4-chlorophenyl)-5,6-diphenylpyrazine.

Molecular Properties

Compound Name2-chloro-3-(4-chlorophenyl)-5,6-diphenylpyrazine
PubChem CID155576945
Molecular FormulaC22H14Cl2N2
Molecular Weight377.27 g/mol
Exact Mass376.05
IUPAC Name2-chloro-3-(4-chlorophenyl)-5,6-diphenylpyrazine
SMILESClc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)nc2Cl)cc1
InChIInChI=1S/C22H14Cl2N2/c23-18-13-11-17(12-14-18)21-22(24)26-20(16-9-5-2-6-10-16)19(25-21)15-7-3-1-4-8-15/h1-14H
InChIKeyVURACUMXXIIPKT-UHFFFAOYSA-N
XLogP6.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.27
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(4-chlorophenyl)-5,6-diphenylpyrazine?
The IUPAC name of 2-chloro-3-(4-chlorophenyl)-5,6-diphenylpyrazine (CID 155576945) is 2-chloro-3-(4-chlorophenyl)-5,6-diphenylpyrazine.
What is the SMILES notation for 2-chloro-3-(4-chlorophenyl)-5,6-diphenylpyrazine?
The canonical SMILES for 2-chloro-3-(4-chlorophenyl)-5,6-diphenylpyrazine is Clc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)nc2Cl)cc1.
What is the InChIKey of 2-chloro-3-(4-chlorophenyl)-5,6-diphenylpyrazine?
The InChIKey is VURACUMXXIIPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N2/c23-18-13-11-17(12-14-18)21-22(24)26-20(16-9-5-2-6-10-16)19(25-21)15-7-3-1-4-8-15/h1-14H.
What are the key properties of 2-chloro-3-(4-chlorophenyl)-5,6-diphenylpyrazine?
2-chloro-3-(4-chlorophenyl)-5,6-diphenylpyrazine has a molecular weight of 377.27 g/mol, XLogP of 6.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(4-chlorophenyl)-5,6-diphenylpyrazine is sourced from PubChem (CID 155576945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).