6,20,29,43-Tetrakis(trimethylsilyl)-7,9,11,15,17,19,30,32,34,38,40,42-dodecathiatridecacyclo[35.9.0.02,12.03,10.04,8.014,24.016,23.018,22.025,35.026,33.027,31.039,46.041,45]hexatetraconta-1(37),2(12),3(10),4(8),5,14(24),16(23),18(22),20,25(35),26(33),27(31),28,39(46),41(45),43-hexadecaene-13,36-dione | 1204502-43-1

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 6,20,29,43-Tetrakis(trimethylsilyl)-7,9,11,15,17,19,30,32,34,38,40,42-dodecathiatridecacyclo[35.9.0.02,12.03,10.04,8.014,24.016,23.018,22.025,35.026,33.027,31.039,46.041,45]hexatetraconta-1(37),2(12),3(10),4(8),5,14(24),16(23),18(22),20,25(35),26(33),27(31),28,39(46),41(45),43-hexadecaene-13,36-dione
• CAS: 1204502-43-1
• 化学式: C₄₆H₄₀O₂S₁₂Si₄
• 分子量: 1121.96
• InChiKey: LYIQEWQAISHRSH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.94
• 重原子数：
  64
• 可旋转键数：
  4
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  373
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  6,20,29,43-Tetrakis(trimethylsilyl)-7,9,11,15,17,19,30,32,34,38,40,42-dodecathiatridecacyclo[35.9.0.02,12.03,10.04,8.014,24.016,23.018,22.025,35.026,33.027,31.039,46.041,45]hexatetraconta-1(37),2(12),3(10),4(8),5,14(24),16(23),18(22),20,25(35),26(33),27(31),28,39(46),41(45),43-hexadecaene-13,36-dione 在 吡啶 、 四氯化钛 、 锌 作用下， 以 四氢呋喃 为溶剂， 以80.1%的产率得到5,5',5'',5'''-tetra(trimethylsilanyl)-naphtho[1,2-b:3,4-b':5,6-b'':7,8-b''']tetra(dithieno[2,3-b:3',2'-d]thiophene)
  参考文献：
  名称：

  Syntheses and Crystal Structures of Benzohexathia[7]helicene and Naphthalene Cored Double Helicene

  摘要：

  Bis(trimethylsilyl)benzohexathia[7]helicene 1, naphthalene cored double helicene 2 (the fused dimer of 1), and a novel ten-membered cyclic diketone with four moieties of dithieno[2,3-b:3',2'-d]thiophene (3) were efficiently synthesized. Their crystal structures were determined with single-crystal X-ray analysis, In their crystal packings, they all show mutiple short contacts including intermolecular pi...pi, pi...S, and S...S interactions. UV/vis spectra indicate that significant T-electron delocalization existed in 1, 2, and 3.

  DOI：

  10.1021/ol902613g
• 作为产物：
  描述：

  5,5'-di(trimethylsilanyl)-3,3'-bis-dithieno[2,3-b;3',2'-d]thiophene 、 二甲氨基甲酰氯 在 lithium diisopropyl amide 作用下， 以 乙醚 、 正己烷 为溶剂， 反应 3.0h， 以49.8%的产率得到6,20,29,43-Tetrakis(trimethylsilyl)-7,9,11,15,17,19,30,32,34,38,40,42-dodecathiatridecacyclo[35.9.0.02,12.03,10.04,8.014,24.016,23.018,22.025,35.026,33.027,31.039,46.041,45]hexatetraconta-1(37),2(12),3(10),4(8),5,14(24),16(23),18(22),20,25(35),26(33),27(31),28,39(46),41(45),43-hexadecaene-13,36-dione
  参考文献：
  名称：

  Syntheses and Crystal Structures of Benzohexathia[7]helicene and Naphthalene Cored Double Helicene

  摘要：

  Bis(trimethylsilyl)benzohexathia[7]helicene 1, naphthalene cored double helicene 2 (the fused dimer of 1), and a novel ten-membered cyclic diketone with four moieties of dithieno[2,3-b:3',2'-d]thiophene (3) were efficiently synthesized. Their crystal structures were determined with single-crystal X-ray analysis, In their crystal packings, they all show mutiple short contacts including intermolecular pi...pi, pi...S, and S...S interactions. UV/vis spectra indicate that significant T-electron delocalization existed in 1, 2, and 3.

  DOI：

  10.1021/ol902613g