2,3-Diphenylpyrazine - CAS 1588-89-2

Catalog:	BB011471
Product Name:	2,3-Diphenylpyrazine
CAS:	1588-89-2
Synonyms:	2,3-diphenylpyrazine; 2,3-diphenylpyrazine

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Computed Properties

IUPAC Name:	2,3-diphenylpyrazine
Description:	2,3-Diphenylpyrazine (CAS# 1588-89-2 ) is a useful research chemical.
Molecular Weight:	232.28
Molecular Formula:	C16H12N2
Canonical SMILES:	C1=CC=C(C=C1)C2=NC=CN=C2C3=CC=CC=C3
InChI:	InChI=1S/C16H12N2/c1-3-7-13(8-4-1)15-16(18-12-11-17-15)14-9-5-2-6-10-14/h1-12H
InChI Key:	PTZIVVDMBCVSMR-UHFFFAOYSA-N
Boiling Point:	341.4 °C at 760 mmHg
Density:	1.125 g/cm³
Solubility:	21.5 [ug/mL] (The mean of the results at pH 7.4)
MDL:	MFCD00053000
LogP:	3.81060

Publication Number	Title	Priority Date
CN-113214169-A	Synthetic method of celecoxib intermediate	20210525
CN-113214170-A	Diphenylpyrazine compound, polymer, organic electronic device, and display panel	20200427
CN-113248451-A	Quinoxaline compound, polymer, organic electronic device and display panel	20200427
DE-102020135111-A1	Organometallic complex, top emission light-emitting material, light-emitting device, light-emitting device, electronic device and lighting device	20200110
US-2021214381-A1	Organometallic complex, light-emitting material for top emission, light-emitting device, light-emitting apparatus, electronic device, and lighting device	20200110

PMID	Publication Date	Title	Journal
17764960	20071101	Structure-activity studies on diphenylpyrazine derivatives: a novel class of prostacyclin receptor agonists	Bioorganic & medicinal chemistry
17545310	20070901	2-[4-[(5,6-diphenylpyrazin-2-yl)(isopropyl)amino]butoxy]-N-(methylsulfonyl)acetamide (NS-304), an orally available and long-acting prostacyclin receptor agonist prodrug	The Journal of pharmacology and experimental therapeutics
14686871	20031229	Anion control of the self-assembly of 2,3-diarylpyrazines with silver(I) salts	Inorganic chemistry
12067559	20020708	Discovery of substituted 3,4-diphenyl-thiazoles as a novel class of monoamine transporter inhibitors through 3-D pharmacophore search using a new pharmacophore model derived from mazindol	Bioorganic & medicinal chemistry letters

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	216
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.100048391
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	232.100048391
Rotatable Bond Count:	2
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1