1,2,3,4,5-Pentaphenyl-1,3-cyclopentadiene - CAS 2519-10-0

Name: 1,2,3,4,5-Pentaphenyl-1,3-cyclopentadiene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB018791
Product Name:	1,2,3,4,5-Pentaphenyl-1,3-cyclopentadiene
CAS:	2519-10-0
Synonyms:	(2,3,4,5-tetraphenylcyclopenta-1,4-dien-1-yl)benzene

Technical Data

IUPAC Name:	(2,3,4,5-tetraphenylcyclopenta-1,4-dien-1-yl)benzene
Description:	1,2,3,4,5-Pentaphenyl-1,3-cyclopentadiene (CAS# 2519-10-0) is used in electroluminescent devices.
Molecular Weight:	446.58
Molecular Formula:	C35H26
Canonical SMILES:	C1=CC=C(C=C1)C2C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
InChI:	InChI=1S/C35H26/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28/h1-25,31H
InChI Key:	YGLVWOUNCXBPJF-UHFFFAOYSA-N
Boiling Point:	591.6 °C at 760 mmHg
Melting Point:	256 °C
Purity:	> 98.0 % (GC)
Density:	1.15 g/cm³
Solubility:	Soluble in pyridine 5 mg/ml.
Appearance:	White to orange to green powder to crystal
Storage:	Store under inert gas
MDL:	MFCD00012263
LogP:	9.00580

Publication Number	Title	Priority Date
EP-2929934-A1	Getter material and hygroscopic film comprising same	20131121
US-2015352521-A1	GETTERING AGENT, ABSORPTIVE FILM COMPRISING THE SAME AND ORGANIC ELECTRONIC DEVICE (As Amended)	20131121
WO-2015014427-A1	Electro-optical device and the use thereof	20130729
WO-2015014429-A1	Electroluminescence device	20130729
WO-2015014437-A1	Electro-optical device and use thereof	20130729

Complexity:	681
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	446.203450829
Formal Charge:	0
Heavy Atom Count:	35
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	446.203450829
Rotatable Bond Count:	5
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	8