2,4,5,6-Tetrakis(3,6-diphenyl-9H-carbazol-9-yl)isophthalonitrile

Name: 2,4,5,6-Tetrakis(3,6-diphenyl-9H-carbazol-9-yl)isophthalonitrile
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CAS No. 1469705-37-0
Cat. No. CS-0213809
Purity≥98%
MDL No.None

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2,4,5,6-Tetrakis(3,6-diphenyl-9H-carbazol-9-yl)isophthalonitrile|CS-0213809

Structure of 1469705-37-0

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General Information

CAS No. 1469705-37-0
Cat. No. CS-0213809
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀₄H₆₄N₆
Molecular Weight 1397.66
Synonym(s) None
SMILES N#CC1=C(N2C(C=CC(C3=CC=CC=C3)=C4)=C4C5=C2C=CC(C6=CC=CC=C6)=C5)C(C#N)=C(N7C(C=CC(C8=CC=CC=C8)=C9)=C9C%10=C7C=CC(C%11=CC=CC=C%11)=C%10)C(N%12C(C=CC(C%13=CC=CC=C%13)=C%14)=C%14C%15=C%12C=CC(C%16=CC=CC=C%16)=C%15)=C1N%17C(C=CC(C%18=CC=CC=C%18)=C%19)=C%19C%20=C%17C=CC(C%21=CC=CC=C%21)=C%20

Description

This tetrakis-substituted isophthalonitrile features four carbazolyl units that enhance charge transport and stability. The electron-rich carbazole moieties facilitate efficient hole mobility, while the nitrile groups enable strong intermolecular interactions. Ideal for high-performance organic semiconductors in OLEDs and photovoltaic devices.

Application

2,4,5,6-Tetrakis(3,6-diphenyl-9H-carbazol-9-yl)isophthalonitrile serves as a high-performance tetrafunctional building block for π-conjugated materials, enabling efficient construction of rigid, electron-rich architectures. Its four carbazolyl nitrile groups facilitate modular coupling reactions and exhibit excellent thermal stability, making it well-suited for applications in organic semiconductors and emissive layers in OLEDs.

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 62.37
LogP 27.2179
H_Acceptors 5
H_Donors 0
Rotatable_Bonds 12

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2,4,5,6-Tetrakis(3,6-diphenyl-9H-carbazol-9-yl)isophthalonitrile

CAS No. 1469705-37-0

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