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Atomfair 2,2′-(((4,4,9,9-Tetrahexyl-4,9-dihydro-s-indaceno[1,2-b:5,6-b’]dithiophene-2,7-diyl)bis(methanylylidene))bis(5,6-dichloro-3-oxo-2,3-dihydro-1H-indene-2,1-diylidene))dimalononitrile C66H62Cl4N4O2S2 CAS 2361961-01-3

2,2′-(((4,4,9,9-Tetrahexyl-4,9-dihydro-s-indaceno[1,2-b:5,6-b’]dithiophene-2,7-diyl)bis(methanylylidene))bis(5,6-dichloro-3-oxo-2,3-dihydro-1H-indene-2,1-diylidene))dimalononitrile (CAS: 2361961-01-3) is a high-purity organic compound with the molecular formula C66H62Cl4N4O2S2. This complex conjugated molecule features a fused indacenodithiophene core functionalized with dichloroindenone and malononitrile groups, making it an excellent candidate for advanced materials research. With a molecular weight of 1149.14 g/mol, this compound is particularly suited for applications in organic electronics, including organic photovoltaics (OPVs) and field-effect transistors (OFETs). Its extended π-conjugation and electron-withdrawing substituents contribute to strong light absorption and charge transport properties. Supplied as a solid with >95% purity, this chemical is ideal for researchers developing next-generation optoelectronic materials.

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Description

2,2′-(((4,4,9,9-Tetrahexyl-4,9-dihydro-s-indaceno[1,2-b:5,6-b’]dithiophene-2,7-diyl)bis(methanylylidene))bis(5,6-dichloro-3-oxo-2,3-dihydro-1H-indene-2,1-diylidene))dimalononitrile (CAS: 2361961-01-3) is a high-purity organic compound with the molecular formula C66H62Cl4N4O2S2. This complex conjugated molecule features a fused indacenodithiophene core functionalized with dichloroindenone and malononitrile groups, making it an excellent candidate for advanced materials research. With a molecular weight of 1149.14 g/mol, this compound is particularly suited for applications in organic electronics, including organic photovoltaics (OPVs) and field-effect transistors (OFETs). Its extended π-conjugation and electron-withdrawing substituents contribute to strong light absorption and charge transport properties. Supplied as a solid with >95% purity, this chemical is ideal for researchers developing next-generation optoelectronic materials.

Properties

  • CAS Number: 2361961-01-3
  • Complexity: 2340
  • IUPAC Name: 2-[(2Z)-5,6-dichloro-2-[[15-[(Z)-[5,6-dichloro-1-(dicyanomethylene)-3-oxo-indan-2-ylidene]methyl]-9,9,18,18-tetrahexyl-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/C66H62Cl4N4O2S2/c1-5-9-13-17-21-65(22-18-14-10-6-2)51-29-48-52(30-47(51)63-53(65)27-41(77-63)25-49-59(39(35-71)36-72)43-31-55(67)57(69)33-45(43)61(49)75)66(23-19-15-11-7-3,24-20-16-12-8-4)54-28-42(78-64(48)54)26-50-60(40(37-73)38-74)44-32-56(68)58(70)34-46(44)62(50)76/h25-34H,5-24H2,1-4H3/b49-25-,50-26-
  • InChI Key: XVVNMEGIFZVCJV-MNVDYYKOSA-N
  • Exact Mass: 1148.303880
  • Molecular Formula: C66H62Cl4N4O2S2
  • Molecular Weight: 1149.2
  • SMILES: CCCCCCC1(C2=CC3=C(C=C2C4=C1C=C(S4)/C=C5/C(=C(C#N)C#N)C6=CC(=C(C=C6C5=O)Cl)Cl)C(C7=C3SC(=C7)/C=C8/C(=C(C#N)C#N)C9=CC(=C(C=C9C8=O)Cl)Cl)(CCCCCC)CCCCCC)CCCCCC
  • Topological: 186
  • Monoisotopic Mass: 1146.306830
  • Synonyms: 2,2′-(((4,4,9,9-Tetrahexyl-4,9-dihydro-s-indaceno[1,2-b:5,6-b’]dithiophene-2,7-diyl)bis(methanylylidene))bis(5,6-dichloro-3-oxo-2,3-dihydro-1H-indene-2,1-diylidene))dimalononitrile, 2361961-01-3

Application

This compound is primarily used as a non-fullerene acceptor (NFA) in organic solar cells due to its broad absorption spectrum and suitable energy levels. Its rigid, planar structure promotes efficient π-π stacking, enhancing charge carrier mobility in thin-film devices. Researchers also explore its utility in photodetectors and as a dopant for tuning semiconductor properties. The dichloroindenone and malononitrile groups facilitate strong intermolecular interactions, improving device stability and performance.

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Disclaimer

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