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Atomfair Propanedinitrile, 2,2′-[[4,4,9,9-tetrakis(4-hexylphenyl)-4,9-dihydro-s-indaceno[1,2-b:5,6-b’]dithiophene-2,7-diyl]bis[methylidyne(3-oxo-1H-indene-2,1(3H)-diylidene)]]bis- C90H82N4O2S2 CAS 2095504-33-7

Propanedinitrile, 2,2′-[[4,4,9,9-tetrakis(4-hexylphenyl)-4,9-dihydro-s-indaceno[1,2-b:5,6-b’]dithiophene-2,7-diyl]bis[methylidyne(3-oxo-1H-indene-2,1(3H)-diylidene)]]bis- (CAS: 2095504-33-7) is a highly specialized organic compound with the molecular formula C90H82N4O2S2. This structurally complex molecule features a fused polycyclic core with indacenodithiophene and indene-dione moieties, functionalized with hexylphenyl groups for enhanced solubility and electronic properties. Its extended π-conjugation system makes it an excellent candidate for advanced materials research, particularly in the development of organic semiconductors, photovoltaic materials, and optoelectronic devices. With a high purity grade, this compound is ideal for researchers exploring novel conjugated systems for next-generation electronic applications.

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Description

Propanedinitrile, 2,2′-[[4,4,9,9-tetrakis(4-hexylphenyl)-4,9-dihydro-s-indaceno[1,2-b:5,6-b’]dithiophene-2,7-diyl]bis[methylidyne(3-oxo-1H-indene-2,1(3H)-diylidene)]]bis- (CAS: 2095504-33-7) is a highly specialized organic compound with the molecular formula C90H82N4O2S2. This structurally complex molecule features a fused polycyclic core with indacenodithiophene and indene-dione moieties, functionalized with hexylphenyl groups for enhanced solubility and electronic properties. Its extended π-conjugation system makes it an excellent candidate for advanced materials research, particularly in the development of organic semiconductors, photovoltaic materials, and optoelectronic devices. With a high purity grade, this compound is ideal for researchers exploring novel conjugated systems for next-generation electronic applications.

Properties

  • CAS Number: 2095504-33-7
  • Complexity: 2790
  • IUPAC Name: 2-[(2E)-2-[[15-[(Z)-[1-(dicyanomethylene)-3-oxo-indan-2-ylidene]methyl]-9,9,18,18-tetrakis(4-hexylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]methylene]-3-oxo-indan-1-ylidene]propanedinitrile
  • InChI: InChI=1S/C90H82N4O2S2/c1-5-9-13-17-25-59-33-41-65(42-34-59)89(66-43-35-60(36-44-66)26-18-14-10-6-2)79-53-76-80(54-75(79)87-81(89)51-69(97-87)49-77-83(63(55-91)56-92)71-29-21-23-31-73(71)85(77)95)90(67-45-37-61(38-46-67)27-19-15-11-7-3,68-47-39-62(40-48-68)28-20-16-12-8-4)82-52-70(98-88(76)82)50-78-84(64(57-93)58-94)72-30-22-24-32-74(72)86(78)96/h21-24,29-54H,5-20,25-28H2,1-4H3/b77-49-,78-50+
  • InChI Key: HPGKMAMXRHTGPJ-VFZXRLAXSA-N
  • Exact Mass: 1314.58792022
  • Molecular Formula: C90H82N4O2S2
  • Molecular Weight: 1315.8
  • SMILES: CCCCCCC1=CC=C(C=C1)C2(C3=CC4=C(C=C3C5=C2C=C(S5)/C=C/6C(=C(C#N)C#N)C7=CC=CC=C7C6=O)C(C8=C4SC(=C8)/C=C9/C(=C(C#N)C#N)C1=CC=CC=C1C9=O)(C1=CC=C(C=C1)CCCCCC)C1=CC=C(C=C1)CCCCCC)C1=CC=C(C=C1)CCCCCC
  • Topological: 186
  • Monoisotopic Mass: 1314.58792022
  • Synonyms: 2095504-33-7, Propanedinitrile, 2,2′-[[4,4,9,9-tetrakis(4-hexylphenyl)-4,9-dihydro-s-indaceno[1,2-b:5,6-b’]dithiophene-2,7-diyl]bis[methylidyne(3-oxo-1H-indene-2,1(3H)-diylidene)]]bis-, 2-[(2Z)-2-[[15-[(E)-[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]methyl]-9,9,18,18-tetrakis(4-hexylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile, Propanedinitrile,2,2′-[[4,4,9,9-tetrakis(4-hexylphenyl)-4,9-dihydro-s-indaceno[1,2-b:5,6-b’]dithiophene-2,7-diyl]bis[methylidyne(3-oxo-1H-indene-2,1(3H)-diylidene)]]bis-

Application

This compound is primarily used in the research and development of organic electronic materials, particularly as a non-fullerene acceptor in organic solar cells due to its broad absorption spectrum and tunable energy levels. Its extended conjugation and electron-deficient dicyanomethylene groups make it suitable for high-performance organic field-effect transistors (OFETs) and light-emitting diodes (OLEDs). Researchers also investigate its potential in photodetectors and other optoelectronic devices requiring stable, solution-processable semiconductors.

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