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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