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CS-W001157 4
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3,4,5,6-tetrakis(3,6-di-t-Butylcarbazol-9-yl)- 1,2-dicyanobenzene

  • CAS No. 1469705-93-8

  • Cat. No. CS-0105292
  • Purity≥98%
  • MDL No.None

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

3,4,5,6-tetrakis(3,6-di-t-Butylcarbazol-9-yl)- 1,2-dicyanobenzene|CS-0105292

Structure of 1469705-93-8

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General Information

  • CAS No. 1469705-93-8
  • Cat. No. CS-0105292
  • Purity ≥98%
  • MDL No. None
  • Storage RT, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈₈H₉₆N₆
  • Molecular Weight 1237.74
  • Synonym(s) 3,4,5,6-Tetrakis(3,6-di-tert-butyl-9H-carbazol-9-yl)phthalonitrile
  • SMILES N#CC1=C(N2C(C=C3)=C(C4=C2C=CC(C(C)(C)C)=C4)C=C3C(C)(C)C)C(N5C(C=C6)=C(C7=C5C=CC(C(C)(C)C)=C7)C=C6C(C)(C)C)=C(N8C(C=C9)=C(C%10=C8C=CC(C(C)(C)C)=C%10)C=C9C(C)(C)C)C(N%11C(C=CC(C(C)(C)C)=C%12)=C%12C%13=C%11C=CC(C(C)(C)C)=C%13)=C1C#N

Description

This tetrakis-substituted dicyanobenzene features four bulky 3,6-di-tert-butylcarbazol-9-yl groups flanking the central dicyanobenzene core, delivering exceptional steric protection and enhanced solubility. The electron-rich carbazolyl moieties enable efficient charge transport while maintaining structural integrity under thermal and oxidative stress.

Application

3,4,5,6-tetrakis(3,6-di-*tert*-butylcarbazol-9-yl)-1,2-dicyanobenzene serves as a sterically encumbered, electron-rich π-conjugated building block ideal for organic semiconductor applications. Its four bulky 3,6-di-*tert*-butylcarbazol-9-yl groups confer exceptional solution processability and film-forming stability, while the central dicyanobenzene core enables strong electron-accepting character. The molecule facilitates efficient charge transport in light-emitting or hole-transport layers and functions effectively in solution-processable OLEDs and photovoltaic devices.

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

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Computational Chemistry Data

  • TPSA   67.3
  • LogP   24.1984
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   4

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