Description

Thieno[2”,3”:4′,5′]thieno[3′,2′:4,5]cyclopenta[1,2-b]thieno[2”’,3”’:4”,5”]thieno[2”,3”:3′,4′]cyclopenta[1′,2′:4,5]thieno[2,3-d]thiophene-2,8-dicarboxaldehyde, 6,6,12,12-tetrakis(4-hexylphenyl)-6,12-dihydro- (CAS: 2243047-94-9) is a high-purity, polycyclic thiophene-based organic compound with the molecular formula C₇₀H₇₂O₂S₆. This structurally complex molecule features multiple fused thieno-thiophene and cyclopenta-thiophene rings, functionalized with hexylphenyl groups and dicarboxaldehyde moieties, making it an ideal candidate for advanced materials research. Its extended π-conjugation system and electron-deficient aldehyde groups suggest potential applications in organic electronics, including organic field-effect transistors (OFETs), organic photovoltaics (OPVs), and non-linear optical materials. Supplied as a solid with guaranteed purity, this compound is rigorously characterized by HPLC, NMR, and mass spectrometry to ensure consistency for research applications. Store under inert conditions at -20°C to maintain stability.

Properties

• CAS Number: 2243047-94-9
• Complexity: 1700
• IUPAC Name: 3,3,16,16-tetrakis(4-hexylphenyl)-6,10,13,19,23,26-hexathiaoctacyclo[12.12.0.02,12.04,11.05,9.015,25.017,24.018,22]hexacosa-1(14),2(12),4(11),5(9),7,15(25),17(24),18(22),20-nonaene-7,20-dicarbaldehyde
• InChI: InChI=1S/C70H72O2S6/c1-5-9-13-17-21-45-25-33-49(34-26-45)69(50-35-27-46(28-36-50)22-18-14-10-6-2)57-61-55(41-53(43-71)73-61)75-63(57)65-59(69)67-68(77-65)60-66(78-67)64-58(62-56(76-64)42-54(44-72)74-62)70(60,51-37-29-47(30-38-51)23-19-15-11-7-3)52-39-31-48(32-40-52)24-20-16-12-8-4/h25-44H,5-24H2,1-4H3
• InChI Key: PBFJVWINRKUKGB-UHFFFAOYSA-N
• Exact Mass: 1136.38565858
• Molecular Formula: C70H72O2S6
• Molecular Weight: 1137.7
• SMILES: CCCCCCC1=CC=C(C=C1)C2(C3=C(C4=C2C5=C(S4)C6=C(S5)C7=C(C6(C8=CC=C(C=C8)CCCCCC)C9=CC=C(C=C9)CCCCCC)C1=C(S7)C=C(S1)C=O)SC1=C3SC(=C1)C=O)C1=CC=C(C=C1)CCCCCC
• Topological: 204
• Monoisotopic Mass: 1136.38565858
• Synonyms: 2243047-94-9, Thieno[2”,3”:4′,5′]thieno[3′,2′:4,5]cyclopenta[1,2-b]thieno[2”’,3”’:4”,5”]thieno[2”,3”:3′,4′]cyclopenta[1′,2′:4,5]thieno[2,3-d]thiophene-2,8-dicarboxaldehyde, 6,6,12,12-tetrakis(4-hexylphenyl)-6,12-dihydro-, Trithiophene-phenylhexyl-CHO, SCHEMBL21173158, Thieno[2”,3”:4′,5′]thieno[3′,2′:4,5]cyclopenta[1,2-b]thieno[2”’,3”’:4”,5”]thieno[2”,3”:3′,4′]cyclopenta[1′,2′:4,5]thieno[2,3-d]thiophene-2,8-dicarboxaldehyde,6,6,12,12-tetrakis(4-hexylphenyl)-6,12-dihydro-

Application

This compound is primarily investigated as a semiconducting material in organic electronics due to its extended π-conjugation and electron-accepting aldehyde groups. Researchers explore its use in organic solar cells as a non-fullerene acceptor or in OFETs for charge transport modulation. The hexylphenyl side chains enhance solubility for solution-processed device fabrication. Its unique structure may also enable applications in photocatalysis or as a building block for covalent organic frameworks (COFs).

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