structure of 2-(4'-(Diphenylamino)-[1,1'-biphenyl]-4-yl)acetonitrile

2-(4'-(Diphenylamino)-[1,1'-biphenyl]-4-yl)acetonitrile

CAS No.: 1000504-19-7
M. Wt: 360.45
M. Fa: C26H20N2
InChI Key: KZXLEMCJJXTCCC-UHFFFAOYSA-N
Appearance: Pale-brown Solid

Names and Identifiers of 1000504-19-7

CAS Number

1000504-19-7

IUPAC Name

2-[4-[4-(N-phenylanilino)phenyl]phenyl]acetonitrile

InChI

InChI=1S/C26H20N2/c27-20-19-21-11-13-22(14-12-21)23-15-17-26(18-16-23)28(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-18H,19H2

InChIKey

KZXLEMCJJXTCCC-UHFFFAOYSA-N

Canonical SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)CC#N

Physical and chemical properties of 1000504-19-7

Boiling Point

552.0±43.0 °C(Predicted)

Density

1.154±0.06 g/cm3(Predicted)

Molecular Formula

C26H20N2

Molecular Weight

360.45

Applications of 1000504-19-7

2-(4'-(Diphenylamino)-[1,1'-biphenyl]-4-yl)acetonitrile has potential applications in various fields:

  • Organic Electronics: Its ability to facilitate charge transport makes it suitable for use in OLEDs and OPVs.
  • Dyes and Pigments: The vibrant colors associated with diphenylamine derivatives can be utilized in dye production.
  • Pharmaceuticals: Given its biological activity, it may serve as a lead compound for drug development targeting cancer or infectious diseases.

The versatility of this compound opens avenues for research and development across multiple industries.

Interaction Studies of 1000504-19-7

Interaction studies involving 2-(4'-(Diphenylamino)-[1,1'-biphenyl]-4-yl)acetonitrile focus on its binding affinities and interactions with various biological targets:

  • Protein Binding Studies: Investigating how this compound interacts with specific proteins could provide insights into its mechanism of action in biological systems.
  • Cellular Uptake Mechanisms: Understanding how this compound is absorbed by cells can inform its potential therapeutic applications.
  • Molecular Docking Studies: Computational studies can predict how well this compound binds to target receptors or enzymes, aiding in drug design efforts.

These studies are crucial for understanding the pharmacodynamics and pharmacokinetics of the compound.

Biological Activity of 1000504-19-7

Research into the biological activity of 2-(4'-(Diphenylamino)-[1,1'-biphenyl]-4-yl)acetonitrile has revealed promising results in several areas:

  • Anticancer Activity: Preliminary studies indicate that compounds with similar structures exhibit cytotoxic effects against various cancer cell lines. This suggests that 2-(4'-(Diphenylamino)-[1,1'-biphenyl]-4-yl)acetonitrile may possess potential anticancer properties.
  • Antimicrobial Properties: Some derivatives of diphenylamino compounds have shown antimicrobial activity, indicating that this compound could also exhibit similar effects against bacteria and fungi.
  • Neuroprotective Effects: Certain diphenylamine derivatives have been studied for their neuroprotective properties, suggesting that this compound might contribute to neuroprotection in neurodegenerative diseases.

Further biological assays are needed to fully elucidate its pharmacological profile.

Physical sample testing spectrum (NMR) of 1000504-19-7

Physical sample testing spectrum (NMR) of 1000504-19-7