4'-(4-Methylphenyl)-2,2':6',2''-terpyridine - CAS 89972-77-0

Name: 4'-(4-Methylphenyl)-2,2':6',2''-terpyridine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB039713
Product Name:	4'-(4-Methylphenyl)-2,2':6',2''-terpyridine
CAS:	89972-77-0
Synonyms:	4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine

Technical Data

IUPAC Name:	4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine
Description:	4'-(4-Methylphenyl)-2,2':6',2''-terpyridine (CAS# 89972-77-0) is a useful research chemical compound.
Molecular Weight:	323.39
Molecular Formula:	C22H17N3
Canonical SMILES:	CC1=CC=C(C=C1)C2=CC(=NC(=C2)C3=CC=CC=N3)C4=CC=CC=N4
InChI:	InChI=1S/C22H17N3/c1-16-8-10-17(11-9-16)18-14-21(19-6-2-4-12-23-19)25-22(15-18)20-7-3-5-13-24-20/h2-15H,1H3
InChI Key:	IDJYBUVHZHLIIT-UHFFFAOYSA-N
Boiling Point:	484.6 °C at 760 mmHg
Melting Point:	167-170 °C
Purity:	95 %
Density:	1.149 g/cm³
Appearance:	Dark yellow to orange solid, fibers, powder or crystals
MDL:	MFCD06796977
LogP:	5.18100

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-2020388779-A1	Light-Emitting Device, Light-Emitting Apparatus, Electronic Device, and Lighting Device	20171222
US-2016152638-A1	Multistimuli-responsive white luminescent materials including metal elements	20141202
US-10961259-B2	Multistimuli-responsive white luminescent materials including metal elements	20141202
US-2016141502-A1	Organic light emitting display device	20141119
US-9978945-B2	Organic light emitting display device	20141119

PMID	Publication Date	Title	Journal
23035689	20121015	Syntheses and electronic properties of rhodium(III) complexes bearing a redox-active ligand	Inorganic chemistry
22183691	20120221	Zn(II) complex of terpyridine for the highly selective fluorescent recognition of pyrophosphate	The Analyst
22098484	20111219	Synthesis, structural characterization, photophysical, electrochemical, and anion-sensing studies of luminescent homo- and heteroleptic ruthenium(II) and osmium(II) complexes based on terpyridyl-imidazole ligand	Inorganic chemistry
21587450	20100930	Poly[bis(μ(3)-thio-cyanato-κN:S:S')(μ(2)-thio-cyanato-κN:S)(4'-p-tolyl-2,2':6',2''-terpyridine-κN,N',N'')cadmium(II)silver(I)]	Acta crystallographica. Section E, Structure reports online
21579321	20100522	{4'-[4-(4,4'-Bipyridin-1-ylmeth-yl)phen-yl]-2,2':6',2''-terpyridine}chloridoplatinum(II) bis-(perchlorate) acetonitrile disolvate sesquihydrate	Acta crystallographica. Section E, Structure reports online

Complexity:	378
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	323.142247555
Formal Charge:	0
Heavy Atom Count:	25
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	323.142247555
Rotatable Bond Count:	3
Topological Polar Surface Area:	38.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1