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2,9-Dioctylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone

  • CAS No. 78151-58-3

  • Cat. No. CS-0163607
  • Purity≥98%
  • MDL No.MFCD08276854

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

2,9-Dioctylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone|CS-0163607

Structure of 78151-58-3

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General Information

  • CAS No. 78151-58-3
  • Cat. No. CS-0163607
  • Purity ≥98%
  • MDL No. MFCD08276854
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄₀H₄₂N₂O₄
  • Molecular Weight 614.77
  • Synonym(s) Ptcdi-C8
  • SMILES O=C1C2=CC=C3C4=CC=C5C(N(CCCCCCCC)C(C6=CC=C(C4=C56)C7=C3C2=C(C(N1CCCCCCCC)=O)C=C7)=O)=O

Application

2,9-Dioctylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone serves as a robust polycyclic scaffold for the synthesis of advanced organic semiconductors and fluorescent materials. Its extended π-conjugation, combined with alkyl side chains enhancing solubility and processability, enables efficient thin-film formation. The tetraone functionality offers versatile handles for downstream functionalization via nucleophilic or reductive transformations, supporting modular construction in high-performance electronic applications.

Synthesis

  • Route1

    References

    • Jones, Brooks A.; Facchetti, Antonio; Wasielewski, Michael R.; Marks, Tobin J. Journal of the American Chemical Society, 2007 , vol. 129, # 49 p. 15259 - 15278
  • Route2
    • null|null
      39061-46-6
    • ~44%
    • In-stock
      2,9-Dioctylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone|CS-0163607
      78151-58-3

    References

    • Sakamoto; Pac Journal of Organic Chemistry, 2001 , vol. 66, # 1 p. 94 - 98
  • Route3

    References

    • Bulletin of the Chemical Society of Japan, , vol. 54, # 4 p. 1191 - 1194

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   78.14
  • LogP   8.684
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   14

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