Description

Thieno[3′,2′:4,5]cyclopenta[1,2-b]thieno[2”,3”:3′,4′]cyclopenta[1′,2′:4,5]thieno[2,3-d]thiophene, 4,4,9,9-tetrakis(4-hexylphenyl)-4,9-dihydro- (CAS No. 1343457-63-5) is a high-purity, polycyclic aromatic compound with the molecular formula C₆₄H₇₂S₄. This structurally complex molecule features a fused thieno-cyclopenta-thieno-thiophene core, functionalized with four hexylphenyl groups, enhancing its solubility and electronic properties. Ideal for advanced materials research, this compound is meticulously synthesized and purified to ≥95% purity (HPLC), ensuring consistency for optoelectronic applications. Packaged under inert gas to prevent degradation, it is suited for use in organic semiconductors, OLEDs, and photovoltaic studies. Available in custom quantities with comprehensive analytical data (NMR, MS, HPLC).

Properties

• CAS Number: 1343457-63-5
• Complexity: 1300
• 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
• InChI: InChI=1S/C64H72S4/c1-5-9-13-17-21-45-25-33-49(34-26-45)63(50-35-27-46(28-36-50)22-18-14-10-6-2)53-41-43-65-57(53)59-55(63)61-62(67-59)56-60(68-61)58-54(42-44-66-58)64(56,51-37-29-47(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: LYRITGJIGPNTLW-UHFFFAOYSA-N
• Exact Mass: 968.45168699
• Molecular Formula: C64H72S4
• Molecular Weight: 969.5
• 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=CS7)SC=C3)C1=CC=C(C=C1)CCCCCC
• Topological: 113
• Monoisotopic Mass: 968.45168699
• Synonyms: 1343457-63-5, Thieno[3′,2′:4,5]cyclopenta[1,2-b]thieno[2”,3”:3′,4′]cyclopenta[1′,2′:4,5]thieno[2,3-d]thiophene, 4,4,9,9-tetrakis(4-hexylphenyl)-4,9-dihydro-, SCHEMBL27402692, Thieno[3′,2′:4,5]cyclopenta[1,2-b]thieno[2”,3”:3′,4′]cyclopenta[1′,2′:4,5]thieno[2,3-d]thiophene,4,4,9,9-tetrakis(4-hexylphenyl)-4,9-dihydro-

Application

This compound is primarily used in the development of organic electronic materials, particularly as a p-type semiconductor or hole-transport layer in OLEDs and perovskite solar cells. Its extended π-conjugation and hexylphenyl substituents improve film-forming properties and charge mobility. Researchers also explore its potential in non-linear optics (NLO) due to its rigid, heterocyclic framework. Suitable for thin-film deposition techniques like spin-coating or vacuum sublimation.

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