Description

5,12-Dibromo-2,9-dioctylanthra[2,1,9-def:6,5,10-d’e’f’]diisoquinoline-1,3,8,10(2H,9H)-tetraone (CAS No. 209111-67-1) is a high-purity, synthetic organic compound with the molecular formula C₄₀H₄₀Br₂N₂O₄. This structurally complex molecule features a fused polycyclic aromatic system with dibromo and dioctyl functional groups, making it a valuable intermediate for advanced materials research. The compound is characterized by its high molecular weight (MW: 772.57 g/mol) and unique electronic properties, which are of interest in the development of organic semiconductors, dyes, and optoelectronic materials. It is supplied as a solid with >95% purity (HPLC), ensuring consistency for research applications. Proper storage at -20°C under inert atmosphere is recommended to maintain stability.

Properties

• CAS Number: 209111-67-1
• Complexity: 1140
• IUPAC Name: 11,22-dibromo-7,18-dioctyl-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/c1-3-5-7-9-11-13-19-43-37(45)25-17-15-23-34-30(42)22-28-32-26(38(46)44(40(28)48)20-14-12-10-8-6-4-2)18-16-24(36(32)34)33-29(41)21-27(39(43)47)31(25)35(23)33/h15-18,21-22H,3-14,19-20H2,1-2H3
• InChI Key: JFVLXCZVJSJPFG-UHFFFAOYSA-N
• Exact Mass: 772.13343
• Molecular Formula: C40H40Br2N2O4
• Molecular Weight: 772.6
• SMILES: CCCCCCCCN1C(=O)C2=C3C(=CC(=C4C3=C(C=C2)C5=C(C=C6C7=C(C=CC4=C57)C(=O)N(C6=O)CCCCCCCC)Br)Br)C1=O
• Topological: 74.8
• Monoisotopic Mass: 770.13548
• Synonyms: 209111-67-1, 5,12-Dibromo-2,9-dioctylanthra[2,1,9-def:6,5,10-d’e’f’]diisoquinoline-1,3,8,10(2H,9H)-tetraone, N,N’-di-(n-octyl)-1,7-dibroMoperylene-3,4, 11,22-dibromo-7,18-dioctyl-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, MFCD28369508, SCHEMBL4547733, AKOS025146516, N,N’-di-(n-octyl)-1,7-dibroMoperylene-3,4:9,10-tetracarboxylic acid bisiMide, AC-33751, AS-64900, CS-0160748, C73948

Application

This dibrominated anthradiisoquinoline derivative is primarily used in materials science research, particularly in the development of organic electronic devices such as OLEDs and organic photovoltaics. Its extended conjugated system and bromine substituents make it a promising candidate for studying charge transport properties in thin-film semiconductors. Researchers also utilize this compound as a building block for synthesizing larger π-conjugated systems with tailored optoelectronic characteristics.

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