5'-(4-Cyanophenyl)-[1,1':3',1''-terphenyl]-4,4''-dicarbonitrile

Name: 5'-(4-Cyanophenyl)-[1,1':3',1''-terphenyl]-4,4''-dicarbonitrile
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CAS No. 382137-78-2
Cat. No. CS-0110601
Purity≥95%
MDL No.None

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5'-(4-Cyanophenyl)-[1,1':3',1''-terphenyl]-4,4''-dicarbonitrile|CS-0110601

Structure of 382137-78-2

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General Information

CAS No. 382137-78-2
Cat. No. CS-0110601
Purity ≥95%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₇H₁₅N₃
Molecular Weight 381.43
Synonym(s) 1,3,5-Tris(4-cyanophenyl)benzene
SMILES N#CC1=CC=C(C=C1)C2=CC(C3=CC=C(C=C3)C#N)=CC(C4=CC=C(C=C4)C#N)=C2

Description

This terphenyl-based nitrile derivative features a rigid, planar backbone with electron-withdrawing cyanophenyl and dicyanomethylene groups. Designed for π-conjugated materials, it integrates into organic semiconductors and optoelectronic devices where enhanced charge transport and thermal stability are required.

Application

5'-(4-Cyanophenyl)-[1,1':3',1''-terphenyl]-4,4''-dicarbonitrile serves as a versatile building block in the synthesis of conjugated organic materials, enabling efficient construction of extended π-systems through standard coupling reactions. Its three aromatic rings flanked by electron-withdrawing nitrile groups provide enhanced planarity, thermal stability, and favorable charge transport properties. The molecule’s robust functional group tolerance facilitates purification and integration into advanced molecular architectures for optoelectronic applications.

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+H312+H332-H315-H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

TPSA 71.37
LogP 6.30264
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 3

Other Classifications

Material Science Covalent Organic Frameworks Nitrile COFs Linkers

Material Science Material Building Blocks Covalent Organic Frameworks (COFs) Linkers Linkers (Others)

Material Science Polymer/Macromolecule Reagents Covalent Organic Frameworks (COFs) Linkers Linkers (Others)

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5'-(4-Cyanophenyl)-[1,1':3',1''-terphenyl]-4,4''-dicarbonitrile

CAS No. 382137-78-2

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