10-methyl-7-[4-[9-methyl-7-(N-phenylanilino)phenanthren-2-yl]-2,5-bis(prop-1-ynyl)phenyl]-N,N-diphenylphenanthren-2-amine | 1264757-27-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 10-methyl-7-[4-[9-methyl-7-(N-phenylanilino)phenanthren-2-yl]-2,5-bis(prop-1-ynyl)phenyl]-N,N-diphenylphenanthren-2-amine
• CAS: 1264757-27-8
• 化学式: C₆₆H₄₈N₂
• 分子量: 869.121
• InChiKey: KZXNHUIXGBFSDF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.9
• 重原子数：
  68
• 可旋转键数：
  10
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1,4-dibromo-2,5-di(prop-1-ynyl)benzene 、 10-methyl-N,N-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthren-2-amine 在 potassium carbonate 、 四(三苯基膦)钯 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 反应 24.5h， 以64%的产率得到10-methyl-7-[4-[9-methyl-7-(N-phenylanilino)phenanthren-2-yl]-2,5-bis(prop-1-ynyl)phenyl]-N,N-diphenylphenanthren-2-amine
  参考文献：
  名称：

  Ph₂N-Susbtituted Ethylene-Bridged p-Phenylene Oligomers: Synthesis and Photophysical and Redox Properties

  摘要：

  For a series of p-phenylene-based oligomers terminated with two triphenylamines, their absorption, photoluminescence, and band gaps show a pattern of extensive pi-conjugation with increasing array size. Oligomers with large central arrays have greater quantum yields than their small analogues. Cyclic voltammetric (CV) measurements indicated two-step oxidations of the two diphenylamino groups for compounds 1-5 and one-step oxidations for the two amines of large oligomers 6 and 7.

  DOI：

  10.1021/jo1020163

文献信息

• Ph₂N-Susbtituted Ethylene-Bridged <i>p</i>-Phenylene Oligomers: Synthesis and Photophysical and Redox Properties
  作者：Balagopal Shainamma Shaibu、Sheng-Hsun Lin、Chi-Yen Lin、Ken-Tsung Wong、Rai-Shung Liu

  DOI：10.1021/jo1020163

  日期：2011.2.18

  For a series of p-phenylene-based oligomers terminated with two triphenylamines, their absorption, photoluminescence, and band gaps show a pattern of extensive pi-conjugation with increasing array size. Oligomers with large central arrays have greater quantum yields than their small analogues. Cyclic voltammetric (CV) measurements indicated two-step oxidations of the two diphenylamino groups for compounds 1-5 and one-step oxidations for the two amines of large oligomers 6 and 7.