25-[5-[5-[5-(27-Oxo-6,9,12,15,18-pentaoxatetracyclo[21.3.1.05,26.019,24]heptacosa-1(26),2,4,19,21,23-hexaen-25-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-6,9,12,15,18-pentaoxatetracyclo[21.3.1.05,26.019,24]heptacosa-1(26),2,4,19,21,23-hexaen-27-one | 1295572-67-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 25-[5-[5-[5-(27-Oxo-6,9,12,15,18-pentaoxatetracyclo[21.3.1.05,26.019,24]heptacosa-1(26),2,4,19,21,23-hexaen-25-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-6,9,12,15,18-pentaoxatetracyclo[21.3.1.05,26.019,24]heptacosa-1(26),2,4,19,21,23-hexaen-27-one
• 英文别名: 25-[5-[5-[5-(27-oxo-6,9,12,15,18-pentaoxatetracyclo[21.3.1.05,26.019,24]heptacosa-1(26),2,4,19,21,23-hexaen-25-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-6,9,12,15,18-pentaoxatetracyclo[21.3.1.05,26.019,24]heptacosa-1(26),2,4,19,21,23-hexaen-27-one
• CAS: 1295572-67-6
• 化学式: C₅₆H₅₂O₁₂S₃
• 分子量: 1013.22
• InChiKey: IUVCWZUITIHZGY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  71
• 可旋转键数：
  4
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  211
• 氢给体数：
  0
• 氢受体数：
  15

反应信息

• 作为产物：
  描述：

  alpha-三联噻吩 、 1,8-oxybis(ethyleneoxyethyleneoxy)-10-hydroxy-10-hydro-9-anthracenone 以 苯甲腈 为溶剂， 以70%的产率得到25-[5-[5-[5-(27-Oxo-6,9,12,15,18-pentaoxatetracyclo[21.3.1.05,26.019,24]heptacosa-1(26),2,4,19,21,23-hexaen-25-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-6,9,12,15,18-pentaoxatetracyclo[21.3.1.05,26.019,24]heptacosa-1(26),2,4,19,21,23-hexaen-27-one
  参考文献：
  名称：

  Substitution of Thiophene Oligomers with Macrocyclic End Caps and the Colorimetric Detection of Hg(II)

  摘要：

  Alkyl substitution at the a position(s) of mono-, bi-, and terthiophenes via electrophilic addition of macrocyclic end caps combines linear, pi-conjugated aromatic compounds and annular macrocycles. Addition of the Hg(II) ion to terthiophene adducts produces intense color changes, allowing for the selective, colorimetric detection of mercury(II). Chemical oxidation of the asymmetric terthiophene adduct produces the sexithiophene oligomer.

  DOI：

  10.1021/ol200442k

文献信息

• Substitution of Thiophene Oligomers with Macrocyclic End Caps and the Colorimetric Detection of Hg(II)
  作者：Mariappan Kadarkaraisamy、Soudsakhone Thammavongkeo、Prem N. Basa、Gerald Caple、Andrew G. Sykes

  DOI：10.1021/ol200442k

  日期：2011.5.6

  Alkyl substitution at the a position(s) of mono-, bi-, and terthiophenes via electrophilic addition of macrocyclic end caps combines linear, pi-conjugated aromatic compounds and annular macrocycles. Addition of the Hg(II) ion to terthiophene adducts produces intense color changes, allowing for the selective, colorimetric detection of mercury(II). Chemical oxidation of the asymmetric terthiophene adduct produces the sexithiophene oligomer.