7-[[4-[(E)-2-[9,10-bis(1,3-dithiol-2-ylidene)anthracen-2-yl]ethenyl]phenyl]methyl]-18-pentadecan-8-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone | 1031414-30-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 7-[[4-[(E)-2-[9,10-bis(1,3-dithiol-2-ylidene)anthracen-2-yl]ethenyl]phenyl]methyl]-18-pentadecan-8-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
• CAS: 1031414-30-8
• 化学式: C₆₈H₅₈N₂O₄S₄
• 分子量: 1095.48
• InChiKey: FRJZYKRVASPZES-ZBJSNUHESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.8
• 重原子数：
  78
• 可旋转键数：
  17
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  176
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-[(6,8,17,19-Tetraoxo-18-pentadecan-8-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl)methyl]benzaldehyde 、 在 potassium tert-butylate 作用下， 以 甲苯 为溶剂， 以65%的产率得到7-[[4-[(E)-2-[9,10-bis(1,3-dithiol-2-ylidene)anthracen-2-yl]ethenyl]phenyl]methyl]-18-pentadecan-8-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
  参考文献：
  名称：

  Synthesis of a π-extended TTF–perylenediimide donor–acceptor dyad

  摘要：

  A donor-acceptor dyad containing perylenediimide as the electron acceptor and pi-extended tetrathiafulvalene as electron donor has been successfully synthesized by means of a Wittig reaction. Cyclic voltammetry and absorption spectroscopy show that both electroactive units preserve their nature, whereas preliminar photophysical investigations show a strong fluorescence quenching. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.03.091