4,4'-(5'-(4-(1H-Pyrazol-4-yl)phenyl)-[1,1':3',1''-terphenyl]-4,4''-diyl)bis(1H-pyrazole)

Name: 4,4'-(5'-(4-(1H-Pyrazol-4-yl)phenyl)-[1,1':3',1''-terphenyl]-4,4''-diyl)bis(1H-pyrazole)
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CAS No. 1855846-73-9
Cat. No. CS-0111206
Purity≥95%
MDL No.MFCD30481298

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4,4'-(5'-(4-(1H-Pyrazol-4-yl)phenyl)-[1,1':3',1''-terphenyl]-4,4''-diyl)bis(1H-pyrazole)|CS-0111206

Structure of 1855846-73-9

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General Information

CAS No. 1855846-73-9
Cat. No. CS-0111206
Purity ≥95%
MDL No. MFCD30481298
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₃₃H₂₄N₆
Molecular Weight 504.58
Synonym(s) None
SMILES C1(C2=CC=C(C3=CC(C4=CC=C(C5=CNN=C5)C=C4)=CC(C6=CC=C(C7=CNN=C7)C=C6)=C3)C=C2)=CNN=C1

Description

This terphenyl-linked pyrazole derivative features a rigid, extended π-conjugated backbone that enhances electronic delocalization. The para-substituted aryl groups and multiple pyrazole moieties enable strong intermolecular interactions, facilitating applications in organic semiconductors and luminescent materials.

Application

4,4'-(5'-(4-(1H-Pyrazol-4-yl)phenyl)-[1,1':3',1''-terphenyl]-4,4''-diyl)bis(1H-pyrazole) serves as a versatile bis-pyrazole scaffold for constructing extended π-conjugated systems. Its rigid terphenyl backbone enables efficient charge transport in organic semiconductors, while the peripheral pyrazole rings offer functional group tolerance and stability under standard synthetic conditions. The molecule facilitates modular coupling reactions and functions as a building block in the development of advanced materials and heterocyclic architectures.

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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Computational Chemistry Data

TPSA 86.04
LogP 7.8579
H_Acceptors 3
H_Donors 3
Rotatable_Bonds 6

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4,4'-(5'-(4-(1H-Pyrazol-4-yl)phenyl)-[1,1':3',1''-terphenyl]-4,4''-diyl)bis(1H-pyrazole)

CAS No. 1855846-73-9

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