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CS-W001157 4
Total: USD 88.00

5''-(4'-Amino-[1,1'-biphenyl]-4-yl)-[1,1':4',1'':3'',1''':4''',1''''-quinquephenyl]-4,4''''-diamine

  • CAS No. 1400987-00-9

  • Cat. No. CS-0110997
  • Purity≥95%
  • MDL No.None

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

5''-(4'-Amino-[1,1'-biphenyl]-4-yl)-[1,1':4',1'':3'',1''':4''',1''''-quinquephenyl]-4,4''''-diamine|CS-0110997

Structure of 1400987-00-9

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General Information

  • CAS No. 1400987-00-9
  • Cat. No. CS-0110997
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄₂H₃₃N₃
  • Molecular Weight 579.73
  • Synonym(s) 1,3,5-tris[4-amino(1,1-biphenyl-4-yl)]benzene
  • SMILES NC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(C4=CC=C(C=C4)C5=CC=C(C=C5)N)=CC(C6=CC=C(C=C6)C7=CC=C(C=C7)N)=C3

Description

This quinquephenyl-based amine features a central [1,1'-biphenyl]-4-yl scaffold bearing an amino group at the 4'-position and a diamine terminus at the 4,4''''-positions. The extended π-conjugated system enables efficient charge transport, while the primary amine functionalities support facile derivatization. This molecule serves as a robust building block for organic semiconductors and functional materials.

Application

5''-(4'-Amino-[1,1'-biphenyl]-4-yl)-[1,1':4',1'':3'',1''':4''',1''''-quinquephenyl]-4,4''''-diamine serves as a versatile multi-amino-substituted quinquephenyl scaffold for constructing extended π-conjugated systems. Its ortho-amino groups enable metal-catalyzed cross-coupling and facilitate coordination in molecular electronics. The molecule exhibits bench stability and tolerates diverse functional groups, supporting applications in conjugated materials synthesis and heterocycle construction.

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-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   78.06
  • LogP   10.4352
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   6

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