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

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

CAS No.: 1002339-79-8
M. Wt: 420.45600
M. Fa: C28H20O4
InChI Key: MTTUYJXPONEHGK-OCEACIFDSA-N
Appearance: Pale-yellow Solid

Names and Identifiers of 1002339-79-8

CAS Number

1002339-79-8

IUPAC Name

4-[(E)-2-(4-carboxyphenyl)-1,2-diphenylethenyl]benzoic acid

InChI

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+

InChIKey

MTTUYJXPONEHGK-OCEACIFDSA-N

Canonical SMILES

C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\C3=CC=C(C=C3)C(=O)O)/C4=CC=C(C=C4)C(=O)O

Physical and chemical properties of 1002339-79-8

Exact Mass

420.13600

LogP

6.09040

Molecular Formula

C28H20O4

Molecular Weight

420.45600

PSA

74.60000

Safety Information of 1002339-79-8

Pictograms

Signal Word

Warning

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1002339-79-8

This compound finds applications in various fields:

  • Material Science: Used as a building block in the synthesis of advanced materials such as organic light-emitting diodes (OLEDs) and sensors due to its aggregation-induced emission properties.
  • Fluorescent Probes: Its unique photophysical properties make it suitable for use in biological imaging and diagnostics.
  • Pharmaceuticals: Potential applications in drug design due to its structural motifs that may interact with biological targets.

Interaction Studies of 1002339-79-8

Interaction studies involving 4,4'-(1,2-diphenylethene-1,2-diyl)dibenzoic acid are crucial for understanding its behavior in biological systems and materials science. Research indicates that compounds with similar structures often interact with proteins and nucleic acids, leading to fluorescence changes that can be exploited for imaging purposes.

Physical sample testing spectrum (NMR) of 1002339-79-8

Physical sample testing spectrum (NMR) of 1002339-79-8

Retrosynthesis analysis of 1002339-79-8

  • Route#1

    Cas:34699-28-0
    Cas:1002339-79-8
  • Route#2

    Cas:14047-29-1
    Cas:1607-57-4
    Cas:1002339-79-8