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4,4'-(1,2-Diphenylethene-1,2-diyl)dibenzoic acid

Catalog Number
ACM1002339798-2
Product Name
4,4'-(1,2-Diphenylethene-1,2-diyl)dibenzoic acid
Structure
CAS
1002339-79-8
Category
Organic Light-Emitting Diode (OLED) Materials
Synonyms
1,2-Di(4-carboxyphenyl)-1,2-diphenylethylene; H2BCTPE
IUPAC Name
4-[(E)-2-(4-carboxyphenyl)-1,2-diphenylethenyl]benzoic acid
Molecular Weight
420.46
Molecular Formula
C28H20O4
Canonical SMILES
O=C(O)C(C=C1)=CC=C1/C(C2=CC=CC=C2)=C(C3=CC=CC=C3)/C4=CC=C(C(O)=O)C=C4
InChI
1S/C28H20O4/c29-27(30)23-15-11-21(12-16-23)25(19-7-3-1-4-8-19)26(20-9-5-2-6-10-20)22-13-17-24(18-14-22)28(31)32/h1-18H,(H,29,30)(H,31,32)/b26-25+,MTTUYJXPONEHGK-OCEACIFDSA-N
InChI Key
MTTUYJXPONEHGK-OCEACIFDSA-N
Purity
98%
Appearance
Yellow powder
Application
TPE-CA is an aggregation-induced emission (AIE) dye for esterification with hydroxyl and amino groups.
Storage
room temp
Complexity
610
Covalently-Bonded Unit Count
1
Exact Mass
420.136159g/mol
Form
solid
Formal Charge
0
Heavy Atom Count
32
Monoisotopic Mass
420.136159g/mol
Packaging
25 mg in glass insert
Rotatable Bond Count
6
XLogP3
7
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