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CS-W001157 4
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4,4',4'',4'''-(Pyrene-1,3,6,8-tetrayltetrakis(ethyne-2,1-diyl))tetraaniline

  • CAS No. 1404196-75-3

  • Cat. No. CS-0110958
  • Purity≥97%
  • MDL No.None

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

4,4',4'',4'''-(Pyrene-1,3,6,8-tetrayltetrakis(ethyne-2,1-diyl))tetraaniline|CS-0110958

Structure of 1404196-75-3

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General Information

  • CAS No. 1404196-75-3
  • Cat. No. CS-0110958
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄₈H₃₀N₄
  • Molecular Weight 662.78
  • Synonym(s) 4,4',4'',4'''-[PYRENE-1,3,6,8-TETRAYLTETRAKIS(ETHYNE-2,1-DIYL)]TETRNANILINE
  • SMILES NC1=CC=C(C=C1)C#CC2=C(C=C3)C4=C5C3=C(C=C(C5=CC=C4C(C#CC6=CC=C(N)C=C6)=C2)C#CC7=CC=C(N)C=C7)C#CC8=CC=C(N)C=C8

Description

This pyrene-based tetraaniline derivative integrates four aniline units via ethynylene linkages, enabling extended π-conjugation and enhanced charge transport. The rigid, planar pyrene core promotes strong intermolecular stacking, while the terminal aniline groups offer synthetic handles for further functionalization in organic electronics and materials science applications.

Application

This tetraaniline derivative serves as a versatile building block for conjugated materials, leveraging its pyrene core and ethynyl-linked aniline units to enable efficient π-extended architectures. The robust ethyne linkages facilitate reliable Sonogashira coupling and other cross-coupling reactions, while the four aniline groups offer tunable basicity and sites for further functionalization. Its high thermal stability and defined molecular geometry make it suitable for applications in organic semiconductors and advanced materials synthesis.

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-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

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Computational Chemistry Data

  • TPSA   104.08
  • LogP   8.512
  • H_Acceptors   4
  • H_Donors   4
  • Rotatable_Bonds   0

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