Chem
J-GLOBAL ID：200907074106315616   Nikkaji number：J2.201.222C

21,24,71,74,121,124,171,174-Octaoctyl-22,23:72,73:122,123:172,173-tetrapertrithiophthalocyanine

21,24,71,74,121,124,171,174-オクタオクチル-22,23:72,73:122,123:172,173-テトラペルトリチオフタロシアニン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C96H138N8S12
Molecular formula furigana： C96-H138-N8-S12
Molecular weight： 1788.940
InChI： InChI=1S/C96H138N8S12/c1-9-17-25-33-41-49-57-65-73-74(66(82-81(65)105-113-106-82)58-50-42-34-26-18-10-2)90-97-89(73)101-91-75-67(59-51-43-35-27-19-11-3)83-84(108-114-107-83)68(60-52-44-36-28-20-12-4)76(75)93(98-91)103-95-79-71(63-55-47-39-31-23-15-7)87-88(112-116-111-87)72(64-56-48-40-32-24-16-8)80(79)96(100-95)104-94-78-70(62-54-46-38-30-22-14-6)86-85(109-115-110-86)69(77(78)92(99-94)102-90)61-53-45-37-29-21-13-5/h9-64H2,1-8H3,(H2,97,98,99,100,101,102,103,104)
InChI key： KKNSCAYZEXGINU-UHFFFAOYSA-N
SMILES： CCCCCCCCc1c2SSSc2c(CCCCCCCC)c2/C/3=N/c4[nH]c(/N=C/5\N=C(/N=c/6\[nH]/c(=N\C(=N3)c12)/c1c6c(CCCCCCCC)c2SSSc2c1CCCCCCCC)c1c5c(CCCCCCCC)c2SSSc2c1CCCCCCCC)c1c4c(CCCCCCCC)c2SSSc2c1CCCCCCCC
Systematic name  (5)：
  • 21,24,71,74,121,124,171,174-オクタオクチル-22,23:72,73:122,123:172,173-テトラペルトリチオフタロシアニン
  • 21,24,71,74,121,124,171,174-オクタオクチル-22,23:72,73:122,123:172,173-テトラ(1,2,3-トリチアプロパン-1,3-ジイル)フタロシアニン
  • 21,24,71,74,121,124,171,174-オクタオクチル-22,23:72,73:122,123:172,173-テトラキス(ペルトリチオ)フタロシアニン
  • 5,11,17,23,29,35,41,47-オクタオクチル-7,8,9,19,20,21,31,32,33,43,44,45-ドデカチア-2,14,26,38,49,50,51,52-オクタアザトリデカシクロ[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]ドペンタコンタ-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-ノナデカエン
  • 5,11,17,23,29,35,41,47-octaoctyl-7,8,9,19,20,21,31,32,33,43,44,45-dodecathia-2,14,26,38,49,50,51,52-octaazatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene
Other name (3)：
  • 21,24,71,74,121,124,171,174-Octaoctyl-22,23:72,73:122,123:172,173-tetrapertrithiophthalocyanine
  • 21,24,71,74,121,124,171,174-Octaoctyl-22,23:72,73:122,123:172,173-tetra(1,2,3-trithiapropane-1,3-diyl)phthalocyanine
  • 21,24,71,74,121,124,171,174-Octaoctyl-22,23:72,73:122,123:172,173-tetrakis(pertrithio)phthalocyanine
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM