Chem
J-GLOBAL ID：200907027245074099   Nikkaji number：J723.078H

21,24,71,74,121,124,171,174-Octa(decyl)phthalocyanine

21,24,71,74,121,124,171,174-オクタキスデシルフタロシアニン
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： C112H178N8
Molecular formula furigana： C112-H178-N8
Molecular weight： 1636.712
InChI： InChI=1S/C112H178N8/c1-9-17-25-33-41-49-57-65-73-89-81-82-90(74-66-58-50-42-34-26-18-10-2)98-97(89)105-113-106(98)118-108-101-93(77-69-61-53-45-37-29-21-13-5)85-86-94(78-70-62-54-46-38-30-22-14-6)102(101)110(115-108)120-112-104-96(80-72-64-56-48-40-32-24-16-8)88-87-95(79-71-63-55-47-39-31-23-15-7)103(104)111(116-112)119-109-100-92(76-68-60-52-44-36-28-20-12-4)84-83-91(99(100)107(114-109)117-105)75-67-59-51-43-35-27-19-11-3/h81-88H,9-80H2,1-8H3,(H2,113,114,115,116,117,118,119,120)
InChI key： OIINSDUIWNPVKL-UHFFFAOYSA-N
SMILES： CCCCCCCCCCc1ccc(CCCCCCCCCC)c2/C/3=N/c4[nH]c(/N=C/5\N=C(/N=c/6\[nH]/c(=N\C(=N3)c12)/c1c6c(CCCCCCCCCC)ccc1CCCCCCCCCC)c1c5c(CCCCCCCCCC)ccc1CCCCCCCCCC)c1c4c(CCCCCCCCCC)ccc1CCCCCCCCCC
Systematic name  (5)：
  • 21,24,71,74,121,124,171,174-オクタキスデシルフタロシアニン
  • 21,24,71,74,121,124,171,174-オクタキスデシル-5,10,15,20-テトラアザ-21H,23H-テトラベンゾ[b,g,l,q]ポルフィリン
  • 21,24,71,74,121,124,171,174-オクタ(デシル)フタロシアニン
  • 5,8,14,17,23,26,32,35-オクタキス(デシル)-2,11,20,29,37,38,39,40-オクタアザノナシクロ[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]テトラコンタ-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-ノナデカエン
  • 5,8,14,17,23,26,32,35-octakis(decyl)-2,11,20,29,37,38,39,40-octaazanonacyclo[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),20,22,24,26,28,30(37),31,33,35-nonadecaene
Other name (3)：
  • 21,24,71,74,121,124,171,174-Octakisdecylphthalocyanine
  • 21,24,71,74,121,124,171,174-Octakisdecyl-5,10,15,20-tetraaza-21H,23H-tetrabenzo[b,g,l,q]porphyrin
  • 21,24,71,74,121,124,171,174-Octa(decyl)phthalocyanine
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