4,10-Bis-(4-tert-butyl-phenyl)-dibenzo[def,mno]chrysene-6,12-dione | 865605-93-2

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 4,10-Bis-(4-tert-butyl-phenyl)-dibenzo[def,mno]chrysene-6,12-dione
• 英文别名: 9,18-Bis(4-tert-butylphenyl)hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2,4,6,8,10,13,15,17,19-decaene-12,22-dione
• CAS: 865605-93-2
• 化学式: C₄₂H₃₄O₂
• 分子量: 570.731
• InChiKey: NWCCQIJTTPYUDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.7
• 重原子数：
  44
• 可旋转键数：
  4
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• Organic luminescent materials
  申请人：Shi Jianmmin

  公开号：US20050212409A1

  公开（公告）日：2005-09-29

  An organic luminescent material including a compound of the following formula: wherein: R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , R 11 and R 12 are individual groups, and at least one group is not hydrogen among the R 1 , R 3 , R 7 , and R 9 groups. Group 1: hydrogen, or alkyl of from 1 to 48 carbon atoms, and each R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , R 11 and R 12 can connect with their neighboring group to form 5 or 6 member cyclic or aromatic ring system, and Group 2: aryl or substituted aryl of from 5 to 48 carbon atoms, or 4 to 48 carbon atoms necessary to complete a fused aromatic ring of naphthenyl, anthracenyl, pyrenyl, or perylenyl; and Group 3: heteroaryl or substituted heteroaryl of from 5 to 24 carbon atoms, or 4 to 48 carbon atoms necessary to complete a fused heteroaromatic ring of furyl, thienyl, pyridyl, quinolinyl and other heterocyclic systems; and Group 4: alkoxyl, amino, alkyl amino, aryl amino dialkyl amino, or diaryl amino of from 1 to 24 carbon atoms; and Group 5: a group consist of F, Cl, Br, I, CN, NCS, NCO, B(OH) 2 , B(OCH 2 CH 2 O), B[OC(CH 3 ) 2 C(CH 3 ) 2 O], SO 2 R 13 , SO 3 R 14 , SO 2 NR 2 , SiR 3 , SiHR 2 , SiR 2 OH, where R, R 13 and R 14 is hydrogen, chlorine, bromine, alkyl group containing 1-12 carbon atoms, and aryl; and Group 6: a group of formula -LY n R 15 where n is 0 to 18, Y is a alkyl group contains 1 to 24 carbon atoms, R 15 is a hydrogen, hydroxy, amino, alkylamino, arylamino, alkyl arylamino, diarylamino, dialkylamino, or —COR 16 where R 16 is a hydrogen, chlorine, COCl, alkyl group containing 1-12 carbon atoms, —NR 2 , —NHR and aryl, or —COOR 17 where R 17 is a hydrogen, alkyl group containing 1-12 carbon atoms, aryl, COR, 2,4-dinitrophenyl, N-imido or —NR 2 ; and L is a direct bond or C═O.

  一种有机发光材料，包括以下式子的化合物：其中：R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11和R12是单个基团，且在R1、R3、R7和R9基团中至少有一个基团不是氢。基团1：氢，或1至48个碳原子的烷基，且每个R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11和R12可以与其相邻的基团连接形成5或6个成员的环或芳香环系统；基团2：5至48个碳原子的芳基或取代芳基，或4至48个碳原子的环烷基、蒽基、芘基或苝基，以完成融合的芳香环；基团3：5至24个碳原子的杂芳基或取代杂芳基，或4至48个碳原子的环烷基、噻吩基、吡啶基、喹啉基和其他杂环系统，以完成融合的杂芳环；基团4：1至24个碳原子的烷氧基、氨基、烷基氨基、芳基氨基二烷基氨基或二芳基氨基；基团5：由F、Cl、Br、I、CN、NCS、NCO、B（OH）2、B（OCH2CH2O）、B[OC（CH3）2C（ ）2O]、SO2R13、SO3R14、SO2NR2、SiR3、SiHR2、SiR2OH组成的基团，其中R、R13和R14为氢、氯、溴、1-12个碳原子的烷基或芳基；基团6：式为-LYnR15的基团，其中n为0至18，Y为含1至24个碳原子的烷基，R15为氢、羟基、氨基、烷基氨基、芳基氨基、烷基芳基氨基、二芳基氨基、二烷基氨基或-COR16，其中R16为氢、氯、COCl、含1-12个碳原子的烷基、-NR2、-NHR和芳基，或-COOR17，其中R17为氢、含1-12个碳原子的烷基、芳基、COR、2,4-二硝基苯基、N-咪唑基或-NR2；L为直接键或C═O。
• Organic electroluminescent devices
  申请人：Shi Jianmin

  公开号：US20050214566A1

  公开（公告）日：2005-09-29

  An organic EL device, comprising an anode and a cathode, and at least one organic luminescent layer comprising a compound of the formula: positioned between said anode and said cathode, and wherein: R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , R 11 and R 12 are individual substituents, each substituent is an individual group selected from the group consisting of hydrogen, halogens, and groups that contain 1 to 48 carbon atoms, and at least one group is not hydrogen.

  一种有机EL器件，包括阳极和阴极，以及至少一种有机发光层，其包括如下式的化合物：位于所述阳极和所述阴极之间，其中：R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11和R12是个别取代基，每个取代基是从氢、卤素和含有1到48个碳原子的基团中选择的个别基团，并且至少有一个基团不是氢。
• US7135243B2
  申请人：——

  公开号：US7135243B2

  公开（公告）日：2006-11-14