Description

Thieno[2”,3”:3′,4′]cyclopenta[1′,2′:4,5]thieno[2,3-d]thieno[3′,2′:4,5]cyclopenta[1,2-b]thiophene-2,7-dicarboxaldehyde, 4,4,9,9-tetrakis(4-hexylphenyl)-4,9-dihydro- (CAS: 2127354-14-5) is a highly specialized organic compound with the molecular formula C₆₆H₇₂O₂S₄. This complex polycyclic thiophene derivative features a unique fused-ring structure and multiple hexylphenyl substituents, making it an intriguing candidate for advanced materials research. The compound’s extended π-conjugated system and aldehyde functional groups suggest potential utility in organic electronics and optoelectronic applications. With a molecular weight of 1017.57 g/mol, this compound is supplied as a high-purity solid suitable for research-scale investigations. Its intricate architecture may offer interesting electronic properties for use in organic semiconductors, photovoltaics, or as a building block for more complex molecular systems.

Properties

• CAS Number: 2127354-14-5
• Complexity: 1470
• IUPAC Name: 3,3,13,13-tetrakis(4-hexylphenyl)-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaene-6,16-dicarbaldehyde
• InChI: InChI=1S/C66H72O2S4/c1-5-9-13-17-21-45-25-33-49(34-26-45)65(50-35-27-46(28-36-50)22-18-14-10-6-2)55-41-53(43-67)69-59(55)61-57(65)63-64(71-61)58-62(72-63)60-56(42-54(44-68)70-60)66(58,51-37-29-47(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: CXHQXJZODBYTDV-UHFFFAOYSA-N
• Exact Mass: 1024.44151623
• Molecular Formula: C66H72O2S4
• Molecular Weight: 1025.5
• 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)C=C(S7)C=O)SC(=C3)C=O)C1=CC=C(C=C1)CCCCCC
• Topological: 147
• Monoisotopic Mass: 1024.44151623
• Synonyms: 2127354-14-5, Thieno[2”,3”:3′,4′]cyclopenta[1′,2′:4,5]thieno[2,3-d]thieno[3′,2′:4,5]cyclopenta[1,2-b]thiophene-2,7-dicarboxaldehyde, 4,4,9,9-tetrakis(4-hexylphenyl)-4,9-dihydro-, Thieno[2”,3”:3′,4′]cyclopenta[1′,2′:4,5]thieno[2,3-d]thieno[3′,2′:4,5]cyclopenta[1,2-b]thiophene-2,7-dicarboxaldehyde,4,4,9,9-tetrakis(4-hexylphenyl)-4,9-dihydro-

Application

This compound shows promise as a building block for organic electronic materials due to its extended conjugated system. Researchers may explore its use in organic field-effect transistors (OFETs) or organic photovoltaics (OPVs) where thiophene-based materials often demonstrate good charge transport properties. The aldehyde functional groups provide sites for further chemical modification, enabling the creation of more complex architectures. Its potential application in dye-sensitized solar cells or as a component in organic light-emitting diodes (OLEDs) warrants investigation. The hexylphenyl substituents may enhance solubility while maintaining desirable electronic properties.

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