2,4,5,6-Tetrakis(3,6-di-tert-butyl-9H-carbazol-9-yl)isophthalonitrile

Name: 2,4,5,6-Tetrakis(3,6-di-tert-butyl-9H-carbazol-9-yl)isophthalonitrile
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CAS No. 1630263-99-8
Cat. No. CS-0213845
Purity≥97%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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2,4,5,6-Tetrakis(3,6-di-tert-butyl-9H-carbazol-9-yl)isophthalonitrile|CS-0213845

Structure of 1630263-99-8

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General Information

CAS No. 1630263-99-8
Cat. No. CS-0213845
Purity ≥97%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈₈H₉₆N₆
Molecular Weight 1237.74
Synonym(s) 4CzIPN-Bu
SMILES N#CC1=C(N2C(C=CC(C(C)(C)C)=C3)=C3C4=C2C=CC(C(C)(C)C)=C4)C(N5C(C=CC(C(C)(C)C)=C6)=C6C7=C5C=CC(C(C)(C)C)=C7)=C(N8C(C=CC(C(C)(C)C)=C9)=C9C%10=C8C=CC(C(C)(C)C)=C%10)C(C#N)=C1N%11C(C=CC(C(C)(C)C)=C%12)=C%12C%13=C%11C=CC(C(C)(C)C)=C%13

Description

This tetrakis-substituted isophthalonitrile features four bulky 3,6-di-tert-butyl-9H-carbazol-9-yl groups that confer exceptional steric protection and solution stability. The electron-rich carbazolyl moieties enhance charge transport properties while the nitrile functionalities enable robust coordination in organic electronic applications. Designed for high-performance materials, this molecule resists aggregation and maintains structural integrity under standard processing conditions.

Application

2,4,5,6-Tetrakis(3,6-di-tert-butyl-9H-carbazol-9-yl)isophthalonitrile serves as a sterically shielded, electron-rich tetraaryl building block for constructing high-performance organic semiconductors. Its four carbazole units provide excellent hole-transport capability and thermal stability, while the nitrile groups enable further functionalization via nucleophilic addition or cyclization. The bulky tert-butyl substituents enhance solubility and inhibit aggregation, facilitating solution processing and film formation in 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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Computational Chemistry Data

TPSA 67.3
LogP 24.1984
H_Acceptors 6
H_Donors 0
Rotatable_Bonds 4

Key Words

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2,4,5,6-Tetrakis(3,6-di-tert-butyl-9H-carbazol-9-yl)isophthalonitrile

CAS No. 1630263-99-8

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