Chem
J-GLOBAL ID：201007064628282705   Nikkaji number：J2.878.075C

22,23,72,73,122,123,172,173-Octa(2,6-dimethylphenoxy)phthalocyanine

22,23,72,73,122,123,172,173-オクタ(2,6-ジメチルフェノキシ)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： C96H82N8O8
Molecular formula furigana： C96-H82-N8-O8
Molecular weight： 1475.760
InChI： InChI=1S/C96H82N8O8/c1-49-25-17-26-50(2)81(49)105-73-41-65-66(42-74(73)106-82-51(3)27-18-28-52(82)4)90-97-89(65)101-91-67-43-75(107-83-53(5)29-19-30-54(83)6)76(108-84-55(7)31-20-32-56(84)8)44-68(67)93(98-91)103-95-71-47-79(111-87-61(13)37-23-38-62(87)14)80(112-88-63(15)39-24-40-64(88)16)48-72(71)96(100-95)104-94-70-46-78(110-86-59(11)35-22-36-60(86)12)77(45-69(70)92(99-94)102-90)109-85-57(9)33-21-34-58(85)10/h17-48H,1-16H3,(H2,97,98,99,100,101,102,103,104)
InChI key： YJZZIDVZVNCBAN-UHFFFAOYSA-N
SMILES： Cc1cccc(C)c1Oc1cc2/C/3=N/c4[nH]c(/N=C/5\N=C(/N=c/6\[nH]/c(=N\C(=N3)c2cc1Oc1c(C)cccc1C)/c1c6cc(Oc2c(C)cccc2C)c(Oc2c(C)cccc2C)c1)c1c5cc(Oc2c(C)cccc2C)c(Oc2c(C)cccc2C)c1)c1c4cc(Oc2c(C)cccc2C)c(Oc2c(C)cccc2C)c1
Systematic name  (4)：
  • 22,23,72,73,122,123,172,173-オクタキス(2,6-ジメチルフェノキシ)フタロシアニン
  • 22,23,72,73,122,123,172,173-オクタ(2,6-ジメチルフェノキシ)フタロシアニン
  • 6,7,15,16,24,25,33,34-オクタキス(2,6-ジメチルフェノキシ)-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
  • 6,7,15,16,24,25,33,34-octakis(2,6-dimethylphenoxy)-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 (2)：
  • 22,23,72,73,122,123,172,173-Octakis(2,6-dimethylphenoxy)phthalocyanine
  • 22,23,72,73,122,123,172,173-Octa(2,6-dimethylphenoxy)phthalocyanine
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