Description

6,6′-Dibromo-1,1′-bis(4-decyltetradecyl)-[3,3′-biindolinylidene]-2,2′-dione (CAS No. 1413918-79-2) is a high-purity, synthetic organic compound with the molecular formula C₆₄H₁₀₄Br₂N₂O₂. This brominated bisindolinylidene derivative features a Z-configuration and is substituted with long-chain alkyl groups (4-decyltetradecyl) for enhanced solubility in non-polar solvents. Its unique structure makes it valuable for advanced material science research, particularly in the development of organic semiconductors, dyes, and photoresponsive materials. The compound is supplied as a solid with strict quality control to ensure consistency in reactivity and performance. Ideal for researchers exploring optoelectronic devices, organic photovoltaics (OPVs), or nonlinear optical (NLO) applications.

Properties

• CAS Number: 1413918-79-2
• Complexity: 1230
• IUPAC Name: (3Z)-6-bromo-3-[6-bromo-1-(4-decyltetradecyl)-2-oxo-indolin-3-ylidene]-1-(4-decyltetradecyl)indolin-2-one
• InChI: InChI=1S/C64H104Br2N2O2/c1-5-9-13-17-21-25-29-33-39-53(40-34-30-26-22-18-14-10-6-2)43-37-49-67-59-51-55(65)45-47-57(59)61(63(67)69)62-58-48-46-56(66)52-60(58)68(64(62)70)50-38-44-54(41-35-31-27-23-19-15-11-7-3)42-36-32-28-24-20-16-12-8-4/h45-48,51-54H,5-44,49-50H2,1-4H3/b62-61-
• InChI Key: MXELPTSBPANGEI-GZYRCYOKSA-N
• Exact Mass: 1092.64441
• Molecular Formula: C64H104Br2N2O2
• Molecular Weight: 1093.3
• SMILES: CCCCCCCCCCC(CCCCCCCCCC)CCCN1C2=C(C=CC(=C2)Br)/C(=C/3C4=C(C=C(C=C4)Br)N(C3=O)CCCC(CCCCCCCCCC)CCCCCCCCCC)/C1=O
• Topological: 40.6
• Monoisotopic Mass: 1090.64646
• Synonyms: 6,6′-Dibromo-1,1′-bis(4-decyltetradecyl)-[3,3′-biindolinylidene]-2,2′-dione, 1413918-79-2, (Z)-6,6′-Dibromo-1,1′-bis(4-decyltetradecyl)-[3,3′-biindolinylidene]-2,2′-dione

Application

This compound is primarily used in organic electronics research, where its extended π-conjugated system and bromine substituents enable tuning of electronic properties. It serves as a precursor for small-molecule semiconductors in thin-film transistors (TFTs) or as a dopant for light-absorbing layers in solar cells. The long alkyl chains promote solution processability, facilitating spin-coating or inkjet printing applications. Researchers also investigate its potential in photodynamic therapy (PDT) due to its light-sensitive indolinylidene core.

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