Description

5,12-Dibromo-2,9-bis(2-ethylhexyl)anthra[2,1,9-def:6,5,10-d’e’f’]diisoquinoline-1,3,8,10(2H,9H)-tetraone (CAS No. 851786-15-7) is a high-purity, brominated anthra-diisoquinoline derivative with the molecular formula C₄₀H₄₀Br₂N₂O₄. This structurally complex compound features a fused polycyclic aromatic system functionalized with bromine atoms and 2-ethylhexyl side chains, making it an excellent candidate for advanced materials research. Its unique electronic and steric properties are of particular interest in the development of organic semiconductors, photovoltaic materials, and optoelectronic devices. The compound is supplied as a solid with guaranteed purity, rigorously characterized by HPLC, NMR, and mass spectrometry to ensure consistency for research applications. Proper handling under inert conditions is recommended due to its sensitivity to light and moisture.

Properties

• CAS Number: 851786-15-7
• Complexity: 1170
• IUPAC Name: 11,22-dibromo-7,18-bis(2-ethylhexyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone
• InChI: InChI=1S/C40H40Br2N2O4/c1-5-9-11-21(7-3)19-43-37(45)25-15-13-23-34-30(42)18-28-32-26(38(46)44(40(28)48)20-22(8-4)12-10-6-2)16-14-24(36(32)34)33-29(41)17-27(39(43)47)31(25)35(23)33/h13-18,21-22H,5-12,19-20H2,1-4H3
• InChI Key: YGQFUAOYYKZQKI-UHFFFAOYSA-N
• Exact Mass: 772.13343
• Molecular Formula: C40H40Br2N2O4
• Molecular Weight: 772.6
• SMILES: CCCCC(CC)CN1C(=O)C2=C3C(=CC(=C4C3=C(C=C2)C5=C(C=C6C7=C(C=CC4=C57)C(=O)N(C6=O)CC(CC)CCCC)Br)Br)C1=O
• Topological: 74.8
• Monoisotopic Mass: 770.13548
• Synonyms: 851786-15-7, 5,12-Dibromo-2,9-bis(2-ethylhexyl)anthra[2,1,9-def:6,5,10-d’e’f’]diisoquinoline-1,3,8,10(2H,9H)-tetraone, N,N’-Bis(2-ethylhexyloxy)-1,7-dibroMo-3,4,9,10-perylene diiMide, MFCD27923071, 11,22-dibromo-7,18-bis(2-ethylhexyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone, SCHEMBL12170838, DTXSID20729084, AKOS022174910, DS-7544, AC-33752, SY100915, CS-0152379, C76735, diisoquinoline-1,3,8,10(2H ,9H )-tetraone, 5,12-Dibromo-2,9-bis(2-ethylhexyl)anthra[2,1,9-def :6,5,10-d inverted exclamation mark e inverted exclamation mark f inverted exclamation mark ]-, 5,12-Dibromo-2,9-Bis(2-Ethylhexyl)Anthra[2,1,9-Def:6,5,10-D inverted exclamation mark E inverted exclamation mark F inverted exclamation mark ]Diisoquinoline-1,3,8,10(2H,9H)-Tetraone, 5,12-Dibromo-2,9-bis(2-ethylhexyl)isoquinolino[4′,5′,6′:6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone, N,N inverted exclamation mark -Bis(2-ethylhexyl)-1,7-dibromo-3,4,9,10-perylenetetracarboxylic Diimide

Application

This compound is primarily utilized in the synthesis of organic semiconductors and n-type materials for organic photovoltaics (OPVs) due to its strong electron-accepting properties. Researchers also explore its potential in organic field-effect transistors (OFETs) and light-emitting diodes (OLEDs) owing to its extended π-conjugation and bromine substituents, which facilitate further functionalization. Its solubility in common organic solvents, imparted by the 2-ethylhexyl groups, makes it suitable for solution-processed device fabrication.

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