10-[4-(2,2-diphenylethenyl)phenyl]-6b,-7,8,9,9a,10-hexahydrobenzo[g]cyclopenta[b]indole | 1315509-04-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 10-[4-(2,2-diphenylethenyl)phenyl]-6b,-7,8,9,9a,10-hexahydrobenzo[g]cyclopenta[b]indole
• CAS: 1315509-04-6
• 化学式: C₃₅H₂₉N
• 分子量: 463.622
• InChiKey: JIIMYDJXXGEJCF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.22
• 重原子数：
  36.0
• 可旋转键数：
  4.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  3.24
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  10-[4-(2,2-diphenylethenyl)phenyl]-6b,-7,8,9,9a,10-hexahydrobenzo[g]cyclopenta[b]indole 在 哌啶 、 三氯氧磷 作用下， 以 乙腈 为溶剂， 反应 2.5h， 生成 (E)-2-cyano-3-[16-[4-(2,2-diphenylethenyl)phenyl]-16-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-8-yl]prop-2-enoic acid
  参考文献：
  名称：

  Comparison of performance between benzoindoline and indoline dyes in zinc oxide dye-sensitized solar cell

  摘要：

  The cell performance of novel benzoindoline dyes on zinc oxide prepared by template cathode electro-deposition method was compared with that of known indoline dyes. Among cyanoacrylic, single and double rhodanine acetic acid derivatives, the cyanoacrylic benzoindoline dye showed better performance than the indoline dye (D131) due to larger J(sc) value which comes from its positive E., level and bathochromic UV-vis absorption band. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2011.02.009
• 作为产物：
  描述：

  1-萘肼 在 sodium tetrahydroborate 、 三叔丁基膦 、 potassium tert-butylate 、 sodium acetate 、 palladium diacetate 、 溶剂黄146 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 、 二氯甲烷 、 水 为溶剂， 反应 42.0h， 生成 10-[4-(2,2-diphenylethenyl)phenyl]-6b,-7,8,9,9a,10-hexahydrobenzo[g]cyclopenta[b]indole
  参考文献：
  名称：

  Comparison of performance between benzoindoline and indoline dyes in zinc oxide dye-sensitized solar cell

  摘要：

  The cell performance of novel benzoindoline dyes on zinc oxide prepared by template cathode electro-deposition method was compared with that of known indoline dyes. Among cyanoacrylic, single and double rhodanine acetic acid derivatives, the cyanoacrylic benzoindoline dye showed better performance than the indoline dye (D131) due to larger J(sc) value which comes from its positive E., level and bathochromic UV-vis absorption band. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2011.02.009