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Atomfair 12,13-Dihydro-12,13-bis(2-octyldodecyl)-3,9-diundecyldithieno[2”,3”:4′,5′]thieno[2′,3′:4,5]pyrrolo[3,2-e:2′,3′-g][2,1,3]benzothiadiazole-2,10-dicarboxaldehyde C82H130N4O2S5 CAS 2599837-57-5

12,13-Dihydro-12,13-bis(2-octyldodecyl)-3,9-diundecyldithieno[2”,3”:4”,5”]thieno[2”,3”:4,5]pyrrolo[3,2-e:2”,3”-g][2,1,3]benzothiadiazole-2,10-dicarboxaldehyde (CAS: 2599837-57-5) is a high-purity, complex organic compound designed for advanced research applications in materials science and organic electronics. With the molecular formula C82H130N4O2S5, this specialized chemical features a multi-heterocyclic core with extended alkyl chains (2-octyldodecyl and undecyl groups) for enhanced solubility and processability. Its unique structure, combining thieno[3,2- b ]indole and benzothiadiazole moieties, makes it a promising candidate for organic semiconductors, photovoltaic materials, and optoelectronic devices. The dicarbaldehyde functional groups offer further reactivity for polymerization or conjugation. Provided as a solid with ≥95% purity (HPLC), it is rigorously characterized by1H/13C NMR, MS, and elemental analysis. Store under inert…

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Description

12,13-Dihydro-12,13-bis(2-octyldodecyl)-3,9-diundecyldithieno[2”,3”:4”,5”]thieno[2”,3”:4,5]pyrrolo[3,2-e:2”,3”-g][2,1,3]benzothiadiazole-2,10-dicarboxaldehyde (CAS: 2599837-57-5) is a high-purity, complex organic compound designed for advanced research applications in materials science and organic electronics. With the molecular formula C82H130N4O2S5, this specialized chemical features a multi-heterocyclic core with extended alkyl chains (2-octyldodecyl and undecyl groups) for enhanced solubility and processability. Its unique structure, combining thieno[3,2-b]indole and benzothiadiazole moieties, makes it a promising candidate for organic semiconductors, photovoltaic materials, and optoelectronic devices. The dicarbaldehyde functional groups offer further reactivity for polymerization or conjugation. Provided as a solid with ≥95% purity (HPLC), it is rigorously characterized by 1H/13C NMR, MS, and elemental analysis. Store under inert conditions at -20°C to ensure stability.

Properties

  • CAS Number: 2599837-57-5
  • Complexity: 1810
  • IUPAC Name: 3,27-bis(2-octyldodecyl)-8,22-di(undecyl)-6,10,15,20,24-pentathia-3,14,16,27-tetrazaoctacyclo[16.9.0.02,12.04,11.05,9.013,17.019,26.021,25]heptacosa-1(18),2(12),4(11),5(9),7,13,16,19(26),21(25),22-decaene-7,23-dicarbaldehyde
  • InChI: InChI=1S/C82H130N4O2S5/c1-7-13-19-25-31-35-39-45-51-57-65-67(61-87)89-81-75-79(91-77(65)81)69-71-72(84-93-83-71)70-74(73(69)85(75)59-63(53-47-41-29-23-17-11-5)55-49-43-37-33-27-21-15-9-3)86(60-64(54-48-42-30-24-18-12-6)56-50-44-38-34-28-22-16-10-4)76-80(70)92-78-66(68(62-88)90-82(76)78)58-52-46-40-36-32-26-20-14-8-2/h61-64H,7-60H2,1-6H3
  • InChI Key: DACYCKBNHBWGRY-UHFFFAOYSA-N
  • Exact Mass: 1362.87973527
  • Molecular Formula: C82H130N4O2S5
  • Molecular Weight: 1364.3
  • SMILES: CCCCCCCCCCCC1=C(SC2=C1SC3=C2N(C4=C3C5=NSN=C5C6=C4N(C7=C6SC8=C7SC(=C8CCCCCCCCCCC)C=O)CC(CCCCCCCC)CCCCCCCCCC)CC(CCCCCCCC)CCCCCCCCCC)C=O
  • Topological: 211
  • Monoisotopic Mass: 1362.87973527
  • Synonyms: 2599837-57-5, 12,13-Dihydro-12,13-bis(2-octyldodecyl)-3,9-diundecyldithieno[2”,3”:4′,5′]thieno[2′,3′:4,5]pyrrolo[3,2-e:2′,3′-g][2,1,3]benzothiadiazole-2,10-dicarboxaldehyde, SCHEMBL25896347, G76292, 12,13-Bis(2-octyldodecyl)-3,9-diundecyl-12,13-dihydro-[1,2,5]thiadiazolo[3,4-e]thieno[2”,3”:4′,5′]thieno[2′,3′:4,5]pyrrolo[3,2-g]thieno[2′,3′:4,5]thieno[3,2-b]indole-2,10-dicarbaldehyde

Application

This compound is primarily investigated for use in organic photovoltaics (OPVs) and field-effect transistors (OFETs) due to its extended π-conjugation and tunable electronic properties. Its bulky alkyl side chains promote solution-processability for thin-film fabrication, while the fused heteroaromatic system enables high charge carrier mobility. Researchers also explore its potential in non-fullerene acceptors for bulk heterojunction solar cells. The aldehyde groups allow for further functionalization via condensation or click chemistry.

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