1,2,3,4,9-pentaphenyltribenzo[b,d,f]phosphepine-9-oxide | 60686-35-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,2,3,4,9-pentaphenyltribenzo[b,d,f]phosphepine-9-oxide
• 英文别名: Tribenzophosphinoxid；1,2,3,4,9-pentaphenyl-9H-tribenzo[b,d,f]phosphepine 9-oxide；3,4,5,6,14-Pentakis-phenyl-14lambda5-phosphatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene 14-oxide；3,4,5,6,14-pentakis-phenyl-14λ5-phosphatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene 14-oxide
• CAS: 60686-35-3
• 化学式: C₄₈H₃₃OP
• 分子量: 656.763
• InChiKey: JXCSOIWYIDYJCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.9
• 重原子数：
  50
• 可旋转键数：
  5
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1,2,3,4,9-pentaphenyltribenzo[b,d,f]phosphepine-9-oxide 在 三氯硅烷 作用下， 以 苯 为溶剂， 生成 1,2,3,4,9-pentaphenyl-9H-tribenzo[b,d,f]phosphepine
  参考文献：
  名称：

  Winter,W., Chemische Berichte, 1976, vol. 109, p. 2405 - 2419

  摘要：

  DOI：
• 作为产物：
  描述：

  Phenylbis<2-(phenylethinyl)phenyl>phosphanoxid 、 二苯基乙炔 在 Wilkinson's catalyst 作用下， 以 均三甲苯 为溶剂， 生成 1,2,3,4,9-pentaphenyltribenzo[b,d,f]phosphepine-9-oxide
  参考文献：
  名称：

  Winter,W., Chemische Berichte, 1976, vol. 109, p. 2405 - 2419

  摘要：

  DOI：

文献信息

• Phosphepine Matrix Compound for a Semiconducting Material
  申请人：Novaled GmbH

  公开号：US20180162890A1

  公开（公告）日：2018-06-14

  The present invention is directed to a compound comprising at least one phosphepine ring and having the phosphorous atom of the phosphepine ring substituted with at least one monovalent substituent R, wherein (i) R is selected from aryls and heteroaryls comprising at least two rings or (ii) R is selected from aryls, alkyls, heteroalkyls, heteroaryls, H, F, CI, Br, I, OH, and OR*, wherein R* is selected from C1-C22 alkyl and C7-C22 arylalkyl, and the hosphepine ring is a ring according to formula (I), wherein structural moieties A, B, C are independently selected from ortho-arylenes and ortho-heteroarylenes, with the proviso that neither A nor B is a condensed arylene, and C comprises at least two annelated rings, a semiconducting material comprising this compound as well as an electronic device comprising the semiconducting material.