Description

3-(5-Bromothiophen-2-yl)-2,5-bis(2-octyldodecyl)-6-(thiophen-2-yl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione (CAS: 1415922-89-2) is a high-purity organic compound with the molecular formula C₅₄H₈₇BrN₂O₂S₂. This specialized diketopyrrolopyrrole (DPP) derivative features bromothiophene and thiophene functional groups, as well as branched 2-octyldodecyl side chains, making it an excellent candidate for advanced materials research. Its extended π-conjugation and electron-deficient core contribute to unique optoelectronic properties, particularly in organic semiconductors and photovoltaic applications. The compound is synthesized under stringent quality control to ensure >98% purity (HPLC), and is provided in a stable, crystalline form. Ideal for researchers developing next-generation organic electronics, this product is packaged under inert conditions to prevent degradation.

Properties

• CAS Number: 1415922-89-2
• Complexity: 1290
• IUPAC Name: 4-(5-bromo-2-thienyl)-2,5-bis(2-octyldodecyl)-1-(2-thienyl)pyrrolo[3,4-c]pyrrole-3,6-dione
• InChI: InChI=1S/C54H87BrN2O2S2/c1-5-9-13-17-21-23-27-31-36-44(34-29-25-19-15-11-7-3)42-56-51(46-38-33-41-60-46)49-50(54(56)59)52(47-39-40-48(55)61-47)57(53(49)58)43-45(35-30-26-20-16-12-8-4)37-32-28-24-22-18-14-10-6-2/h33,38-41,44-45H,5-32,34-37,42-43H2,1-4H3
• InChI Key: KSQBTHCFCLVGLP-UHFFFAOYSA-N
• Exact Mass: 938.53923
• Molecular Formula: C54H87BrN2O2S2
• Molecular Weight: 940.3
• SMILES: CCCCCCCCCCC(CCCCCCCC)CN1C(=C2C(=C(N(C2=O)CC(CCCCCCCC)CCCCCCCCCC)C3=CC=C(S3)Br)C1=O)C4=CC=CS4
• Topological: 97.1
• Monoisotopic Mass: 938.53923
• Synonyms: 1415922-89-2, 3-(5-Bromothiophen-2-yl)-2,5-bis(2-octyldodecyl)-6-(thiophen-2-yl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione, SCHEMBL28383859

Application

This brominated DPP derivative is primarily used in the development of high-performance organic semiconductors, particularly for organic field-effect transistors (OFETs) and bulk heterojunction solar cells. Its extended conjugation and electron-accepting properties make it suitable as a non-fullerene acceptor in organic photovoltaics. Researchers also utilize this compound in the synthesis of narrow bandgap polymers for near-infrared (NIR) applications. The branched alkyl chains promote solubility in common organic solvents while maintaining solid-state ordering.

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