5,8,14,17,23,26,32,35-Octamethyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28(38),30(37),31,33,35-nonadecaene | 128912-59-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: 5,8,14,17,23,26,32,35-Octamethyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28(38),30(37),31,33,35-nonadecaene
• 英文别名: 5,8,14,17,23,26,32,35-octamethyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28(38),30(37),31,33,35-nonadecaene
• CAS: 128912-59-4
• 化学式: C₄₀H₃₄N₈
• 分子量: 626.764
• InChiKey: CWBYESIJRJODHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.3
• 重原子数：
  48
• 可旋转键数：
  0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3,6-dimethylphthalonitrile 在 lithium 作用下， 以 戊醇 为溶剂， 反应 1.0h， 以35%的产率得到5,8,14,17,23,26,32,35-Octamethyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28(38),30(37),31,33,35-nonadecaene
  参考文献：
  名称：

  McKeown, Neil B.; Chambrier, Isabelle; Cook, Michael J., Journal of the Chemical Society. Perkin transactions I, 1990, # 4, p. 1169 - 1177

  摘要：

  DOI：

文献信息

• Inkjet ink comprising IR dye with a plurality of water-solubilizing alcohol substituents
  申请人：Vonwiller Charlotte Simone

  公开号：US20070044680A1

  公开（公告）日：2007-03-01

  There is provided an inkjet ink comprising an IR-absorbing dye of formula (I) or (II) wherein R 10 , R 13 , R 20 , R 23 , R 30 , R 33 , R 40 and R 43 are independently selected from a C 1-12 alkyl group bearing a hydroxyl or protected hydroxyl group; each of R 11 /R 12 , R 21 /R 22 , R 31 /R 32 , and R 41 /R 42 are together joined to form T is selected from a substituent comprising a polymeric chain or a C 1-30 hydrocarbyl group; W is —SO 3 H or a water-soluble salt thereof; m is 0, 1 or 2; n is 0, 1 or 2; M is selected from Si(A 1 )(A 2 ), Ge(A 1 )(A 2 ), Ga(A 1 ), Mg, Al(A 1 ), TiO, Ti(A 1 )(A 2 ), ZrO, Zr(A 1 )(A 2 ), VO, V(A 1 )(A 2 ), Mn, Mn(A 1 ), Fe, Fe(A 1 ), Co, Ni, Cu, Zn, Sn, Sn(A 1 )(A 2 ), Pb, Pb(A 1 )(A 2 ), Pd and Pt; A 1 and A 2 are axial ligands, which may be the same or different, and are selected from —OH, halogen or —OR 3 ; R 3 is a selected from C 1-12 alkyl, C 5-12 aryl, C 5-12 arylalkyl or Si(R x )(R y )(R z ); and R x , R y and R z may be the same or different and are selected from C 1-2 alkyl, C 5-12 aryl, C 5-12 arylalkyl, C 1-12 alkoxy, C 5-12 aryloxy or C 5-12 arylalkoxy. Such inks are suitable for use in netpage, Hyperlabel and other applications.

  提供一种墨水喷墨墨水，包含式(I)或(II)的IR吸收染料，其中R10、R13、R20、R23、R30、R33、R40和R43分别独立地选择具有羟基或保护羟基的C1-12烷基；R11/R12、R21/R22、R31/R32和R41/R42中的每一个共同结合形成T，所述T选择自聚合物链或C1-30烃基；W为SO3H或其水溶性盐；m为0、1或2；n为0、1或2；M选择自Si(A1)(A2)、Ge(A1)(A2)、Ga(A1)、Mg、Al(A1)、TiO、Ti(A1)(A2)、ZrO、Zr(A1)(A2)、VO、V(A1)(A2)、Mn、Mn(A1)、Fe、Fe(A1)、Co、Ni、Cu、Zn、Sn、Sn(A1)(A2)、Pb、Pb(A1)(A2)、Pd和Pt；A1和A2是轴向配体，可以相同或不同，选择自-OH、卤素或-OR3；R3选择自C1-12烷基、C5-12芳基、C5-12芳基烷基或Si(Rx)(Ry)(Rz)；Rx、Ry和Rz可以相同或不同，选择自C1-2烷基、C5-12芳基、C5-12芳基烷基、C1-12烷氧基、C5-12芳氧基或C5-12芳基烷氧基。这样的墨水适用于Netpage、Hyperlabel和其他应用。
• MCKEOWN, NEIL B.;CHAMBRIER, ISABELLE;COOK, MICHAEL J., J. CHEM. SOC. PT 1. PERKIN TRANS.,(1990) N, C. 1169-1177
  作者：MCKEOWN, NEIL B.、CHAMBRIER, ISABELLE、COOK, MICHAEL J.

  DOI：——

  日期：——
• [EN] NEAR-INFRARED-ABSORBING MATERIAL<br/>[FR] MATIÈRE ABSORBANT LES INFRAROUGES PROCHES
  申请人：FUJIFILM CORP

  公开号：WO2007111155A1

  公开（公告）日：2007-10-04

  [EN] The invention provides a near-infrared-absorbing material, comprising at least two ultraviolet absorbents and at least one near-infrared absorbent or infrared absorbent, wherein the at least two ultraviolet absorbents are at least two compounds having a maximum spectroscopic absorption wavelength in solution of 470 nm or less in a wavelength range of from 270 to 1,600 nm and the at least one near-infrared or infrared absorbent is at least one compound having a maximum spectroscopic absorption wavelength in solution of 700 nm or more in a wavelength range of from 400 to 1,600 nm.
  [FR] Matière absorbant les infrarouges proches qui contient au moins deux absorbants d'ultraviolets et au moins un absorbant d'infrarouges proches ou d'infrarouges. Les deux absorbants d'ultraviolets sont au moins deux composés ayant une longueur d'onde d'absorption stectroscopique maximale en solution de 470 nm au moins dans une plage de longueurs d'ondes allant de 270 à 1600 nm et l'absorbant d'infrarouges proches ou l'absorbant d'infrarouges est au moins un composé ayant une longueur d'onde d'absorption stectroscopique maximale en solution de 700 nm ou plus dans une plage de longueurs d'ondes allant de 400 à 1600 nm.
• McKeown, Neil B.; Chambrier, Isabelle; Cook, Michael J., Journal of the Chemical Society. Perkin transactions I, 1990, # 4, p. 1169 - 1177
  作者：McKeown, Neil B.、Chambrier, Isabelle、Cook, Michael J.

  DOI：——

  日期：——