2-[(1E,3E,5E,7E)-7-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)hepta-1,3,5-trienyl]-1,1,3-trimethylbenzo[e]indol-3-ium

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-[(1E,3E,5E,7E)-7-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)hepta-1,3,5-trienyl]-1,1,3-trimethylbenzo[e]indol-3-ium
• 化学式: C38H39N2+
• 分子量: 523.7
• InChiKey: VBAAWIWHEAIRQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.8
• 重原子数：
  40
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  6.2
• 氢给体数：
  0
• 氢受体数：
  1

文献信息

• COMPOUND AND PHOTOACOUSTIC IMAGING CONTRAST MEDIUM CONTAINING THE COMPOUND
  申请人：CANON KABUSHIKI KAISHA

  公开号：US20150157741A1

  公开（公告）日：2015-06-11

  The present invention provides a compound which exhibits a high degree of accumulation into a tumor even when some extent of time has passed after performing administration and which facilitates an increase in the intensity of photoacoustic signal produced by the tumor. A compound produced by bonding of a polyethylene glycol and a specific cyanine based compound.