Description

Trimethyl-[9,9,18,18-tetrakis(4-octylphenyl)-15-trimethylstannyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]stannane (CAS: 1433218-20-2) is a highly specialized organotin compound with the molecular formula C₇₈H₁₀₆S₂Sn₂. This complex molecule features a pentacyclic core structure with integrated sulfur and tin atoms, further functionalized with octylphenyl and trimethylstannyl groups. Its unique architecture makes it an intriguing candidate for advanced materials research, particularly in the fields of organic electronics and optoelectronics. The compound is supplied as a high-purity material suitable for research applications, with strict quality control to ensure batch-to-batch consistency. Proper handling precautions should be observed due to the presence of organotin moieties.

Properties

• CAS Number: 1433218-20-2
• Complexity: 1560
• IUPAC Name: trimethyl-[9,9,18,18-tetrakis(4-octylphenyl)-15-trimethylstannyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]stannane
• InChI: InChI=1S/C72H88S2.6CH3.2Sn/c1-5-9-13-17-21-25-29-55-33-41-59(42-34-55)71(60-43-35-56(36-44-60)30-26-22-18-14-10-6-2)65-49-51-73-69(65)63-54-68-64(53-67(63)71)70-66(50-52-74-70)72(68,61-45-37-57(38-46-61)31-27-23-19-15-11-7-3)62-47-39-58(40-48-62)32-28-24-20-16-12-8-4;;;;;;;;/h33-50,53-54H,5-32H2,1-4H3;6*1H3;;
• InChI Key: HYJPHYWFYJGPFS-UHFFFAOYSA-N
• Exact Mass: 1344.57740
• Molecular Formula: C78H106S2Sn2
• Molecular Weight: 1345.2
• SMILES: CCCCCCCCC1=CC=C(C=C1)C2(C3=CC4=C(C=C3C5=C2C=C(S5)[Sn](C)(C)C)C(C6=C4SC(=C6)[Sn](C)(C)C)(C7=CC=C(C=C7)CCCCCCCC)C8=CC=C(C=C8)CCCCCCCC)C9=CC=C(C=C9)CCCCCCCC
• Topological: 56.5
• Monoisotopic Mass: 1346.57800
• Synonyms: 1433218-20-2, (4,4,9,9-Tetrakis(4-octylphenyl)-4,9-dihydro-s-indaceno[1,2-b:5,6-b’]dithiophene-2,7-diyl)bis(trimethylstannane), 1,1′-[4,9-Dihydro-4,4,9,9-tetrakis(4-octylphenyl)-s-indaceno[1,2-b:5,6-b’]dithiophene-2,7-diyl]bis[1,1,1-trimethylstannane], Stannane,1,1′-[4,9-dihydro-4,4,9,9-tetrakis(4-octylphenyl)-s-indaceno[1,2-b:5,6-b’]dithiophene-2,7-diyl]bis[1,1,1-trimethyl-

Application

This specialized organotin compound finds potential applications in the development of novel organic semiconductors and photovoltaic materials. Researchers may explore its use in organic field-effect transistors (OFETs) or as a building block for conjugated polymers in organic solar cells. The compound’s extended π-conjugated system and heavy atom content could also make it interesting for studies in triplet harvesting materials for OLED applications. Its structural complexity offers opportunities for investigating structure-property relationships in advanced material systems.

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