5,5'-Diiodo-2,2'-dimethylbiphenyl - CAS 1392203-19-8

Catalog:	BB062971
Product Name:	5,5'-Diiodo-2,2'-dimethylbiphenyl
CAS:	1392203-19-8
Synonyms:	5,5'-Diiodo-2,2'-dimethyl-1,1'-biphenyl; 3,3'-Diiodo-6,6'-dimethylbiphenyl

Technical Data

IUPAC Name:	4-iodo-2-(5-iodo-2-methylphenyl)-1-methylbenzene
Description:	5,5'-Diiodo-2,2'-dimethylbiphenyl acts as a reagent in the synthesis of host materials for blue phosphorescent organic light emitting diodes.
Molecular Weight:	434.05
Molecular Formula:	C14H12I2
Canonical SMILES:	CC1=C(C=C(C=C1)I)C2=C(C=CC(=C2)I)C
InChI:	InChI=1S/C14H12I2/c1-9-3-5-11(15)7-13(9)14-8-12(16)6-4-10(14)2/h3-8H,1-2H3
InChI Key:	VBRWVADZBWZCMH-UHFFFAOYSA-N
References:	Schroegel, P., et al. Org. Electron., 12, 2047 (2011); Strohriegl, P., et al. Proceedings of SPIE, Materials and Devices, 8829, 882906 (2013),.

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	433.90285
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	433.90285
Rotatable Bond Count:	1
Topological Polar Surface Area:	0Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.6