2,3-diphenyl-5-(5-phenyl-2-pyridinyl)-6-(4-pyridin-4-ylphenyl)pyrazine

C38H26N4 — CID 156509384

IUPAC2,3-diphenyl-5-(5-phenyl-2-pyridinyl)-6-(4-pyridin-4-ylphenyl)pyrazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)nc3-c3ccc(-c4ccncc4)cc3)nc2)cc1
InChIInChI=1S/C38H26N4/c1-4-10-27(11-5-1)33-20-21-34(40-26-33)38-37(32-18-16-28(17-19-32)29-22-24-39-25-23-29)41-35(30-12-6-2-7-13-30)36(42-38)31-14-8-3-9-15-31/h1-26H
InChIKeyRIQJABAYCAQLCJ-UHFFFAOYSA-N
MW538.65 g/mol
LogP9.27
Rot. Bonds6

About 2,3-diphenyl-5-(5-phenyl-2-pyridinyl)-6-(4-pyridin-4-ylphenyl)pyrazine

2,3-diphenyl-5-(5-phenyl-2-pyridinyl)-6-(4-pyridin-4-ylphenyl)pyrazine (PubChem CID 156509384) has the molecular formula C38H26N4 and a molecular weight of 538.65 g/mol. Its IUPAC name is 2,3-diphenyl-5-(5-phenyl-2-pyridinyl)-6-(4-pyridin-4-ylphenyl)pyrazine.

Molecular Properties

Compound Name2,3-diphenyl-5-(5-phenyl-2-pyridinyl)-6-(4-pyridin-4-ylphenyl)pyrazine
PubChem CID156509384
Molecular FormulaC38H26N4
Molecular Weight538.65 g/mol
Exact Mass538.22
IUPAC Name2,3-diphenyl-5-(5-phenyl-2-pyridinyl)-6-(4-pyridin-4-ylphenyl)pyrazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)nc3-c3ccc(-c4ccncc4)cc3)nc2)cc1
InChIInChI=1S/C38H26N4/c1-4-10-27(11-5-1)33-20-21-34(40-26-33)38-37(32-18-16-28(17-19-32)29-22-24-39-25-23-29)41-35(30-12-6-2-7-13-30)36(42-38)31-14-8-3-9-15-31/h1-26H
InChIKeyRIQJABAYCAQLCJ-UHFFFAOYSA-N
XLogP9.27
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.65
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-5-(5-phenyl-2-pyridinyl)-6-(4-pyridin-4-ylphenyl)pyrazine?
The IUPAC name of 2,3-diphenyl-5-(5-phenyl-2-pyridinyl)-6-(4-pyridin-4-ylphenyl)pyrazine (CID 156509384) is 2,3-diphenyl-5-(5-phenyl-2-pyridinyl)-6-(4-pyridin-4-ylphenyl)pyrazine.
What is the SMILES notation for 2,3-diphenyl-5-(5-phenyl-2-pyridinyl)-6-(4-pyridin-4-ylphenyl)pyrazine?
The canonical SMILES for 2,3-diphenyl-5-(5-phenyl-2-pyridinyl)-6-(4-pyridin-4-ylphenyl)pyrazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)nc3-c3ccc(-c4ccncc4)cc3)nc2)cc1.
What is the InChIKey of 2,3-diphenyl-5-(5-phenyl-2-pyridinyl)-6-(4-pyridin-4-ylphenyl)pyrazine?
The InChIKey is RIQJABAYCAQLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4/c1-4-10-27(11-5-1)33-20-21-34(40-26-33)38-37(32-18-16-28(17-19-32)29-22-24-39-25-23-29)41-35(30-12-6-2-7-13-30)36(42-38)31-14-8-3-9-15-31/h1-26H.
What are the key properties of 2,3-diphenyl-5-(5-phenyl-2-pyridinyl)-6-(4-pyridin-4-ylphenyl)pyrazine?
2,3-diphenyl-5-(5-phenyl-2-pyridinyl)-6-(4-pyridin-4-ylphenyl)pyrazine has a molecular weight of 538.65 g/mol, XLogP of 9.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-5-(5-phenyl-2-pyridinyl)-6-(4-pyridin-4-ylphenyl)pyrazine is sourced from PubChem (CID 156509384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).