N-acetyl-15,17-dioxo-N,16-bis(2-phenylethyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-5-carboxamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: N-acetyl-15,17-dioxo-N,16-bis(2-phenylethyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-5-carboxamide
• 化学式: C₄₁H₃₀N₂O₄
• 分子量: 614.7
• InChiKey: SEMSRPQMTZYROQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  47
• 可旋转键数：
  7
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  74.8
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• [EN] USE OF COMPOUNDS OF THE PERYLENE TYPE AS ACCEPTORS IN PHOTOVOLTAICS<br/>[FR] UTILISATION DE COMPOSÉS DE TYPE PÉRYLÈNE COMME ACCEPTEURS DANS DES DISPOSITIFS PHOTOVOLTAÏQUES
  申请人：RHODIA OPERATIONS

  公开号：WO2014100961A1

  公开（公告）日：2014-07-03

  The present invention relates to the use of a compound of formula (I) wherein: - R and R' represent, independently of each other, a hydrogen atom or a C1-C36 hydrocarbon group non-conjugated with the nitrogen atom to which it is bound, and - R1, R2, R3, R4, R'1, R'2, R'3 and R'4 represent, independently of each others, a group selected from the group consisting of -Ra, -NRaRb, - ORa, -CN, -C02Ra, -NO2, -CH(CN)2 and halogen, wherein Ra and Rb represent independently a hydrogen atom or a C1-C12 alkyl group, as a semi-conducting compound of type N in a photovoltaic substrate, wherein said photovoltaic substrate comprises said compound of formula (I) and a semi-conducting compound of type P, providing, in combination with each other, a photovoltaic effect.

  本发明涉及一种化合物的使用，其化学式为(I)，其中：- R和R'分别独立地表示氢原子或未与其结合的氮原子共轭的C1-C36烃基，- R1、R2、R3、R4、R'1、R'2、R'3和R'4独立地表示从所述组中选择的一种基团，所述组包括-Ra、-NRaRb、-ORa、-CN、-C02Ra、-NO2、-CH(CN)2和卤素，其中Ra和Rb独立地表示氢原子或C1-C12烷基，作为N型半导体化合物在光伏基板中的应用，其中所述光伏基板包括所述化合物的化学式(I)和P型半导体化合物，二者结合产生光伏效应。