2-(4-Biphenylyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole | 15082-28-7

Product Introduction

2-(4-Biphenylyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole is an exquisitely crafted synthetic compound that has garnered significant attention within the biomedical industry due to its remarkable potential as an antitumor agent. This oxadiazole derivative, through meticulous scientific exploration, has exhibited profound anticancer activity against a multitude of diverse cancer types, encompassing the formidable adversaries of breast and lung cancer. Illuminating its captivating mechanism of action, this compound effectively impedes specific cellular pathways, thereby propelling it to the vanguard of promising entities for the development of precise and bespoke cancer therapeutics.

Chemical Information
Synonyms	BPBD-365; 2-[1,1'-biphenyl]-4-yl-5-[4-(1,1-dimethylethyl)phenyl]-1,3,4-oxadiazole; Butyl PBD; 2-(4-tert-Butylphenyl)-5-(4-biphenylyl)-1,3,4-oxadiazole
Purity	>99.0%(GC)
IUPAC Name	2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
Canonical SMILES	CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)C4=CC=CC=C4
InChI	InChI=1S/C24H22N2O/c1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-16H,1-3H3
InChI Key	XZCJVWCMJYNSQO-UHFFFAOYSA-N
Solubility	soluble in Toluene
Appearance	White to Almost white powder to crystal
Melting Point	138 °C

Product Specification
Excitation	554
Emission	576
Storage	Store under inert gas
Signal	Warning
GHS Hazard Statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes	P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (The corresponding statement to each P-code can be found at the GHS Classification page.)

Computed Properties
XLogP3	6.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	354.173213330 g/mol
Monoisotopic Mass	354.173213330 g/mol
Topological Polar Surface Area	38.9Ų
Heavy Atom Count	27
Formal Charge	0
Complexity	452
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Literatures

PMID	Publication Date	Title	Journal
20589043	2010-05-24	High-response ultraviolet photodetector based on N,N'-bis(naphthalen-1-yl)-N,N'-bis(phenyl)benzidine and 2-(4-tertbutylphenyl)-5-(4-biphenylyl)-1,3,4-oxadiazole	Optics express
20353214	2009-02-01	Efficient near-infrared polymer and organic light-emitting diodes based on electrophosphorescence from (tetraphenyltetranaphtho[2,3]porphyrin)platinum(II)	ACS applied materials & interfaces
17582816	2007-01-01	High-efficiency electrophosphorescent copolymers containing charged iridium complexes in the side chains	Chemistry (Weinheim an der Bergstrasse, Germany)

Patents

Publication Number	Title	Priority Date
CN-114864851-A	Organic matter, light-emitting device, laminated light-emitting device, display substrate and display device	2022-07-06
CN-115241234-A	A display panel and display device	2022-06-20
CN-115057786-A	OLED material and preparation method thereof, OLED element, display substrate and display device	2022-06-17
CN-115073516-A	A kind of phosphoroxy derivative, application, organic electroluminescence device and display device	2022-06-15
KR-102493756-B1	Novel 5-oxo-1,2,4-oxadiazole derivatives, preparation method thereof, and use thereof	2022-04-22