2-[2-[[12,19-Bis[[9,10-bis(1,3-dithiol-2-ylidene)anthracen-2-yl]methoxy]-6,13,20-trimethoxy-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]-10-(1,3-dithiol-2-ylidene)anthracen-9-ylidene]-1,3-dithiole | 1219442-18-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 2-[2-[[12,19-Bis[[9,10-bis(1,3-dithiol-2-ylidene)anthracen-2-yl]methoxy]-6,13,20-trimethoxy-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]-10-(1,3-dithiol-2-ylidene)anthracen-9-ylidene]-1,3-dithiole
• 英文别名: 2-[2-[[12,19-bis[[9,10-bis(1,3-dithiol-2-ylidene)anthracen-2-yl]methoxy]-6,13,20-trimethoxy-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]-10-(1,3-dithiol-2-ylidene)anthracen-9-ylidene]-1,3-dithiole
• CAS: 1219442-18-8
• 化学式: C₈₇H₆₀O₆S₁₂
• 分子量: 1586.22
• InChiKey: SMDYLKKWNUEUOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20.4
• 重原子数：
  105
• 可旋转键数：
  12
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  359
• 氢给体数：
  0
• 氢受体数：
  18

反应信息

• 作为产物：
  描述：

  cyclotriguaiacyclene 、 (9,10-di(1,3-dithiol-2-ylidene)-9,10-dihydroanthracen-2-yl)methanol 在 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 反应 96.0h， 以46%的产率得到2-[2-[[12,19-Bis[[9,10-bis(1,3-dithiol-2-ylidene)anthracen-2-yl]methoxy]-6,13,20-trimethoxy-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]-10-(1,3-dithiol-2-ylidene)anthracen-9-ylidene]-1,3-dithiole
  参考文献：
  名称：

  Tripodal exTTF-CTV Hosts for Fullerenes

  摘要：

  A receptor for fullerenes featuring three exTTF units linked to a CTV scaffold is described. The exTTF-CTV host forms remarkably stable complexes with both C-60 (log K-a = 5.3 +/- 0.2) and C-70 (log K-a = 6.3 +/- 0.6). Light-induced ESR spectra demonstrate that intracomplex PET processes take place in solution.

  DOI：

  10.1021/ja1006993

文献信息

• Tripodal exTTF-CTV Hosts for Fullerenes
  作者：Elisa Huerta、Helena Isla、Emilio M. Pérez、Carles Bo、Nazario Martín、Javier de Mendoza

  DOI：10.1021/ja1006993

  日期：2010.4.21

  A receptor for fullerenes featuring three exTTF units linked to a CTV scaffold is described. The exTTF-CTV host forms remarkably stable complexes with both C-60 (log K-a = 5.3 +/- 0.2) and C-70 (log K-a = 6.3 +/- 0.6). Light-induced ESR spectra demonstrate that intracomplex PET processes take place in solution.