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2,2'-(5'-(4-(Cyanomethyl)phenyl)-[1,1':3',1''-terphenyl]-4,4''-diyl)diacetonitrile

  • CAS No. 2311888-44-3

  • Cat. No. CS-0146297
  • Molecule weight423.51
  • Purity≥97%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

2,2'-(5'-(4-(Cyanomethyl)phenyl)-[1,1':3',1''-terphenyl]-4,4''-diyl)diacetonitrile|CS-0146297

Structure of 2311888-44-3

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General Information

  • CAS No. 2311888-44-3
  • Cat. No. CS-0146297
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃₀H₂₁N₃
  • Molecular Weight 423.51
  • Synonym(s) CID 145712123
  • SMILES N#CCC1=CC=C(C2=CC(C3=CC=C(CC#N)C=C3)=CC(C4=CC=C(CC#N)C=C4)=C2)C=C1

Description

This terphenyl-based diacetonitrile features a central cyanomethyl-substituted aryl bridge flanked by nitrile groups, enabling strong coordination in metal-ligand systems. The extended π-conjugation enhances electronic communication across the scaffold, while the nitrile moieties offer robust binding affinity and synthetic handle versatility.

Application

2,2'-(5'-(4-(Cyanomethyl)phenyl)-[1,1':3',1''-terphenyl]-4,4''-diyl)diacetonitrile serves as a versatile bis-cyano building block for constructing extended π-conjugated architectures. Its dual acetonitrile groups enable efficient functionalization in coupling reactions and facilitate the assembly of multi-chromophoric systems. The molecule exhibits excellent bench stability and clean purification profiles, supporting its utility in the synthesis of advanced materials and heterocyclic scaffolds.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

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Computational Chemistry Data

  • TPSA   71.37
  • LogP   6.88584
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   6

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