1. chem960
  2. 942130-56-5
6,13-Dioctyl-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-2,9-dicarbonitrile | 942130-56-5

Product name:6,13-Dioctyl-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-2,9-dicarbonitrile

CAS No:942130-56-5
MF:C32H36N4O4
MW:540.652647972107
CID:4670192
Names and Identifiers
  • IN1876
  • 2,7-Dioctyl-1,3,6,8-tetraoxo-1,2,3,6,7,8-hexahydrobenzo[lmn][3,8]phenanthroline-4,9-dicarbonitrile
  • Benzo[lmn][3,8]phenanthroline-4,9-dicarbonitrile, 1,2,3,6,7,8-hexahydro-2,7-dioctyl-1,3,6,8-tetraoxo-
  • 6,13-Dioctyl-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-
  • 1,2,3,6,7,8-Hexahydro-2,7-dioctyl-1,3,6,8-tetraoxobenzo[lmn][3,8]phenanthroline-4,9-dicarbonitrile (ACI)
  • N,N′-Bis(n-octyl)-2,6-dicyanonaphthalene-1,4,5,8-bis(dicarboximide)
  • InChIKey:RTIPQFMBRLENLC-UHFFFAOYSA-N
  • Inchi:1S/C32H36N4O4/c1-3-5-7-9-11-13-15-35-29(37)23-17-22(20-34)26-28-24(18-21(19-33)25(27(23)28)31(35)39)30(38)36(32(26)40)16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3
  • SMILES:N#CC1C2=C3C(C(N(CCCCCCCC)C2=O)=O)=CC(C#N)=C2C3=C(C(N(CCCCCCCC)C2=O)=O)C=1
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 540.7g/mol
  • Surface Charge: 0
  • XLogP3: 7.4
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Rotatable Bond Count: 14
  • Monoisotopic Mass: 540.273656g/mol
  • Monoisotopic Mass: 540.273656g/mol
  • Topological Polar Surface Area: 122Ų
  • Heavy Atom Count: 40
  • Complexity: 985
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1

Experimental Properties

Synthetic Circuit

Synthetic Circuit 1

Reaction Conditions
1.1 Solvents: Dimethylformamide
Reference
Cyanonaphthalene Diimide Semiconductors for Air-Stable, Flexible, and Optically Transparent n-Channel Field-Effect Transistors
Jones, Brooks A.; Facchetti, Antonio; Marks, Tobin J.; Wasielewski, Michael R., Chemistry of Materials, 2007, 19(11), 2703-2705
Related Products
©2008-2024 chem960.com All rights reserved