3,6-bis(4-(2-ethylhexyloxy)phenyl)-9H-carbazole | 453530-47-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 3,6-bis(4-(2-ethylhexyloxy)phenyl)-9H-carbazole
• 英文别名: 3,6-di[4'-(2''-ethylhexyloxy)phenyl]carbazole；3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole
• CAS: 453530-47-7
• 化学式: C₄₀H₄₉NO₂
• 分子量: 575.835
• InChiKey: BXVUBDSXYHXRSE-UHFFFAOYSA-N

物化性质

• 熔点：
  121-122 °C
• 沸点：
  726.5±60.0 °C(Predicted)
• 密度：
  1.053±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  12.8
• 重原子数：
  43
• 可旋转键数：
  16
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  34.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,6-bis(4-(2-ethylhexyloxy)phenyl)-9H-carbazole 、 4-(4-溴苯基)苯甲腈 在 copper(l) iodide 、 18-冠醚-6 、 potassium carbonate 作用下， 以 邻二氯苯 为溶剂， 反应 24.0h， 以64%的产率得到4'-(3,6-bis(4-(2-ethylhexyloxy)phenyl)-9H-carbazole-9-yl)biphenyl-4-carbonitrile
  参考文献：
  名称：

  Compounds having hole conducting property, co-adsorbent body comprising same, and dye-sensitized solar cell comprising the co-adsorbent body

  摘要：

  公开号：

  EP2711359B1
• 作为产物：
  描述：

  咔唑 在 N-溴代丁二酰亚胺(NBS) 、 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 四氢呋喃 、 乙醇 、 水 、 甲苯 为溶剂， 反应 16.0h， 生成 3,6-bis(4-(2-ethylhexyloxy)phenyl)-9H-carbazole
  参考文献：
  名称：

  Compounds having hole conducting property, co-adsorbent body comprising same, and dye-sensitized solar cell comprising the co-adsorbent body

  摘要：

  公开号：

  EP2711359B1

文献信息

• [EN] NEUTRAL METALLIC DENDRIMER COMPLEXES<br/>[FR] COMPLEXES DE DENDRIMERES METALLIQUES NEUTRES
  申请人：ISIS INNOVATION

  公开号：WO2004020448A1

  公开（公告）日：2004-03-11

  A charge-neutral organometallic dendrimer is described, said dendrimer having the formula (I): CORE-[DENDRITE(-Q)a]n in which CORE represents a group of formula MxxYz, in which M represents a metal cation, x represents an integer of 1 or more, each X which may be the same or different represents a mono-, bi- or tri-dentate coordinating group, z represents 0 or an integer of 1 or more, and each Y which may be the same or different represents a coordinating group, the total of (b.x) + (c.z) being equal to the number of coordination sites on M, wherein b is the number of coordination sites on X and c is the number of coordination sites on Y; n represents an integer of 2 or more; each DENDRITE which may be the same or different represents a dendritic molecular structure bonded to a group X; a represents 0 or an integer of 1 or more; and each Q which may be the same or different represents a surface group; CORE terminating in the first single bond which is connected to a branching group or branching atom of DENDRITE; which dendrimer has a structure in which no hemisphere of a notional sphere centred on M and containing the dendrimer is devoid of a said first single bond.

  描述了一个电中性的有机金属树枝状聚合物，该树状聚合物具有以下公式(I)：CORE-[DENDRITE(-Q)a]n，其中CORE代表具有MxxYz的化学式的基团，其中M代表金属阳离子，x代表大于或等于1的整数，每个X（可能相同或不同）代表单、双或三配位基团，z代表0或大于或等于1的整数，每个Y（可能相同或不同）代表一个配位基团，(b.x) + (c.z)的总和等于M上的配位位点数，其中b是X上的配位位点数，c是Y上的配位位点数；n代表大于或等于2的整数；每个DENDRITE（可能相同或不同）代表与一个X基团结合的树状分子结构；a代表0或大于或等于1的整数；每个Q（可能相同或不同）代表一个表面基团；CORE在连接到DENDRITE的分支基团或分支原子的第一个单键中终止；该树状聚合物具有一种结构，其中以M为中心并包含该树状聚合物的虚拟球体的任何半球面都不缺少所述的第一个单键。
• Neutral metallic dendrimer complexes
  申请人：Samuel David William Ifor

  公开号：US20060119254A1

  公开（公告）日：2006-06-08

  A charge-neutral organometallic dendrimer is described, said dendrimer having the formula (I): CORE-[DENDRITE(-Q) a ] n (I) in which CORE represents a group of formula MX x Y z , in which M represents a metal cation, x represents an integer of 1 or more, each X which may be the same or different represents a mono-, bi- or tri-dentate coordinating group, z represents 0 or an integer of 1 or more, and each Y which may be the same or different represents a coordinating group, the total of (b.x)+(c.z) being equal to the number of coordination sites on M, wherein b is the number of coordination sites on X and c is the number of coordination sites on Y; n represents an integer of 2 or more; each DENDRITE which may be the same or different represents a dendritic molecular structure bonded to a group X; a represents 0 or an integer of 1 or more; and each Q which may be the same or different represents a surface group; CORE terminating in the first single bond which is connected to a branching group or branching atom of DENDRITE; which dendrimer has a structure in which no hemisphere of a notional sphere centred on M and containing the dendrimer is devoid of a said first single bond.

  描述了一种带电中性的有机金属树状分子，该分子具有以下公式(I)：CORE-[DENDRITE(-Q)a]n(I)，其中CORE表示具有MXxYz式的基团，其中M表示金属阳离子，x表示1或更多的整数，每个X可以相同或不同，表示单、双或三配位基团，z表示0或1或更多的整数，每个Y可以相同或不同，表示配位基团，(b.x)+(c.z)的总和等于M上的配位位点数，其中b是X上的配位位点数，c是Y上的配位位点数；n表示2或更多的整数；每个可能相同或不同的DENDRITE表示与X基团结合的树状分子结构；a表示0或1或更多的整数；每个可能相同或不同的Q表示表面基团；CORE以连接到DENDRITE分支基团或分支原子的第一单键终止；该树状分子具有结构，其中以M为中心的想象球的任何半球都不缺少所述第一单键。
• Metal-containing dendrimers
  申请人：——

  公开号：US20040137263A1

  公开（公告）日：2004-07-15

  A light emitting device which comprises at least one layer that contains an organometallic dendrimer with a metal cation at its core.

  一种发光装置，其中至少包含一层含有金属离子的有机金属树枝状聚合物的层。
• Metal-Containing Dendrimers
  申请人：Burn Paul Leslie

  公开号：US20100072886A1

  公开（公告）日：2010-03-25

  This invention relates to a light emitting device which comprises at least one layer that contains an organometallic dendrimer having a core comprising a metal cation. The invention also relates to organometallic dendrimers and methods for producing the same.

  本发明涉及一种发光装置，其包括至少一层含有一个有机金属树状分子的层，该有机金属树状分子的核心包括金属阳离子。本发明还涉及有机金属树状分子及其制备方法。
• Neutral Metallic Dendrimer Complexes
  申请人：Samuel Ifor David William

  公开号：US20110127496A1

  公开（公告）日：2011-06-02

  A charge-neutral organometallic dendrimer is described, said dendrimer having the formula (I): CORE-[DENDRITE(-Q) a ] n (I) in which CORE represents a group of formula MX X Y Z , in which M represents a metal cation, x represents an integer of 1 or more, each X which may be the same or different represents a mono-, bi- or tri-dentate coordinating group, z represents 0 or an integer of 1 or more, and each Y which may be the same or different represents a coordinating group, the total of (b.x)+(c.z) being equal to the number of coordination sites on M, wherein b is the number of coordination sites on X and c is the number of coordination sites on Y; n represents an integer of 2 or more; each DENDRITE which may be the same or different represents a dendritic molecular structure bonded to a group X; a represents 0 or an integer of 1 or more; and each Q which may be the same or different represents a surface group; CORE terminating in the first single bond which is connected to a branching group or branching atom of DENDRITE; which dendrimer has a structure in which no hemisphere of a notional sphere centred on M and containing the dendrimer is devoid of a said first single bond.

  描述了一种带电中性的有机金属树状分子，该树状分子具有公式（I）：CORE-[DENDRITE(-Q)a]n(I)，其中CORE表示公式MXXYZ的一组，其中M表示金属阳离子，x表示1或更多的整数，每个X可以相同或不同，表示单、双或三配体配位基团，z表示0或1或更多的整数，每个Y可以相同或不同，表示配位基团，（b.x）+（c.z）的总和等于M上的配位位点数，其中b是X上的配位位点数，c是Y上的配位位点数；n表示2或更多的整数；每个DENDRITE可以相同或不同，表示连接到X基团的树状分子结构；a表示0或1或更多的整数；每个Q可以相同或不同，表示表面基团；CORE在连接到DENDRITE的分支基团或分支原子的第一个单键中终止；该树状分子具有一种结构，在该结构中，以M为中心的虚拟球的任何半球都不缺少所述第一个单键。