Chem
J-GLOBAL ID：200907081017241257   Nikkaji number：J1.685.159K

21,71,121,171-Tetrakis[3,5-bis(benzyloxy)benzyloxy]phthalocyanine

21,71,121,171-テトラキス[3,5-ビス(ベンジルオキシ)ベンジルオキシ]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： C116H90N8O12
Molecular formula furigana： C116-H90-N8-O12
Molecular weight： 1788.040
InChI： InChI=1S/C116H90N8O12/c1-9-29-77(30-10-1)65-125-89-53-85(54-90(61-89)126-66-78-31-11-2-12-32-78)73-133-101-49-25-45-97-105(101)113-117-109(97)122-114-107-99(47-27-51-103(107)135-75-87-57-93(129-69-81-37-17-5-18-38-81)63-94(58-87)130-70-82-39-19-6-20-40-82)111(119-114)124-116-108-100(48-28-52-104(108)136-76-88-59-95(131-71-83-41-21-7-22-42-83)64-96(60-88)132-72-84-43-23-8-24-44-84)112(120-116)123-115-106-98(110(118-115)121-113)46-26-50-102(106)134-74-86-55-91(127-67-79-33-13-3-14-34-79)62-92(56-86)128-68-80-35-15-4-16-36-80/h1-64H,65-76H2,(H2,117,118,119,120,121,122,123,124)
InChI key： KRPRYMNHFSEFKI-UHFFFAOYSA-N
SMILES： C(Oc1cc(COc2cccc3/C/4=N/c5[nH]c(/N=C/6\N=C(/N=c/7\[nH]/c(=N\C(=N4)c23)/c2c7c(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)ccc2)c2c6c(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)ccc2)c2c5c(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)ccc2)cc(OCc2ccccc2)c1)c1ccccc1
Systematic name  (3)：
  • 21,71,121,171-テトラキス[3,5-ビス(ベンジルオキシ)ベンジルオキシ]フタロシアニン
  • 5,14,23,32-テトラキス({[3,5-ビス(ベンジルオキシ)フェニル]メトキシ})-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
  • 5,14,23,32-tetrakis({[3,5-bis(benzyloxy)phenyl]methoxy})-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 (1)：
  • 21,71,121,171-Tetrakis[3,5-bis(benzyloxy)benzyloxy]phthalocyanine
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