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Atomfair 5,5′-(2,5-Bis(2-octyldodecyl)-3,6-dioxo-2,3,5,6-tetrahydropyrrolo[3,4-c]pyrrole-1,4-diyl)bis(thiophene-2-carbaldehyde) DPP812-CHO C56H88N2O4S2 CAS 1393737-21-7

5,5′-(2,5-Bis(2-octyldodecyl)-3,6-dioxo-2,3,5,6-tetrahydropyrrolo[3,4-c]pyrrole-1,4-diyl)bis(thiophene-2-carbaldehyde) (CAS: 1393737-21-7) is a high-purity organic compound with the molecular formula C56H88N2O4S2. This diketopyrrolopyrrole (DPP)-based derivative features thiophene-carbaldehyde functional groups and branched 2-octyldodecyl side chains, offering excellent solubility and processability for advanced material applications. Its extended π-conjugation and electron-deficient core make it ideal for organic electronics, including organic photovoltaics (OPVs) and field-effect transistors (OFETs). The compound is rigorously characterized by1H NMR, HPLC, and mass spectrometry to ensure ≥95% purity. Packaged under inert gas to prevent degradation, it is suited for research in conjugated polymers and small-molecule semiconductors.

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Description

5,5′-(2,5-Bis(2-octyldodecyl)-3,6-dioxo-2,3,5,6-tetrahydropyrrolo[3,4-c]pyrrole-1,4-diyl)bis(thiophene-2-carbaldehyde) (CAS: 1393737-21-7) is a high-purity organic compound with the molecular formula C56H88N2O4S2. This diketopyrrolopyrrole (DPP)-based derivative features thiophene-carbaldehyde functional groups and branched 2-octyldodecyl side chains, offering excellent solubility and processability for advanced material applications. Its extended π-conjugation and electron-deficient core make it ideal for organic electronics, including organic photovoltaics (OPVs) and field-effect transistors (OFETs). The compound is rigorously characterized by 1H NMR, HPLC, and mass spectrometry to ensure ≥95% purity. Packaged under inert gas to prevent degradation, it is suited for research in conjugated polymers and small-molecule semiconductors.

Properties

  • CAS Number: 1393737-21-7
  • Complexity: 1310
  • IUPAC Name: 5-[4-(5-formyl-2-thienyl)-2,5-bis(2-octyldodecyl)-3,6-dioxo-pyrrolo[3,4-c]pyrrol-1-yl]thiophene-2-carbaldehyde
  • InChI: InChI=1S/C56H88N2O4S2/c1-5-9-13-17-21-23-27-31-35-45(33-29-25-19-15-11-7-3)41-57-53(49-39-37-47(43-59)63-49)51-52(55(57)61)54(50-40-38-48(44-60)64-50)58(56(51)62)42-46(34-30-26-20-16-12-8-4)36-32-28-24-22-18-14-10-6-2/h37-40,43-46H,5-36,41-42H2,1-4H3
  • InChI Key: QSMYLECDZUUZRN-UHFFFAOYSA-N
  • Exact Mass: 916.61855164
  • Molecular Formula: C56H88N2O4S2
  • Molecular Weight: 917.4
  • SMILES: CCCCCCCCCCC(CCCCCCCC)CN1C(=C2C(=C(N(C2=O)CC(CCCCCCCC)CCCCCCCCCC)C3=CC=C(S3)C=O)C1=O)C4=CC=C(S4)C=O
  • Topological: 131
  • Monoisotopic Mass: 916.61855164
  • Synonyms: 1393737-21-7, 5,5′-(2,5-Bis(2-octyldodecyl)-3,6-dioxo-2,3,5,6-tetrahydropyrrolo[3,4-c]pyrrole-1,4-diyl)bis(thiophene-2-carbaldehyde), DPP812-CHO, SCHEMBL20576477

Application

This DPP-based monomer is primarily used in the synthesis of low-bandgap conjugated polymers for organic solar cells, enabling high power conversion efficiencies (PCEs) due to its strong light absorption and charge transport properties. It serves as a key building block in donor-acceptor (D-A) copolymers for OFETs, offering tunable energy levels and film morphology control. Researchers also employ it in non-fullerene acceptors (NFAs) for next-generation photovoltaics.

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Disclaimer

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