Chem
J-GLOBAL ID：200907077976821826   Nikkaji number：J1.474.453C

21,24,71,74,121,124,171,174-Octapentadecylphthalocyanine

21,24,71,74,121,124,171,174-オクタペンタ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： C152H258N8
Molecular formula furigana： C152-H258-N8
Molecular weight： 2197.792
InChI： InChI=1S/C152H258N8/c1-9-17-25-33-41-49-57-65-73-81-89-97-105-113-129-121-122-130(114-106-98-90-82-74-66-58-50-42-34-26-18-10-2)138-137(129)145-153-146(138)158-148-141-133(117-109-101-93-85-77-69-61-53-45-37-29-21-13-5)125-126-134(118-110-102-94-86-78-70-62-54-46-38-30-22-14-6)142(141)150(155-148)160-152-144-136(120-112-104-96-88-80-72-64-56-48-40-32-24-16-8)128-127-135(119-111-103-95-87-79-71-63-55-47-39-31-23-15-7)143(144)151(156-152)159-149-140-132(116-108-100-92-84-76-68-60-52-44-36-28-20-12-4)124-123-131(139(140)147(154-149)157-145)115-107-99-91-83-75-67-59-51-43-35-27-19-11-3/h121-128H,9-120H2,1-8H3,(H2,153,154,155,156,157,158,159,160)
InChI key： OHYWUDYZJMLYHF-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCCCCc1ccc(CCCCCCCCCCCCCCC)c2/C/3=N/c4[nH]c(/N=C/5\N=C(/N=c/6\[nH]/c(=N\C(=N3)c12)/c1c6c(CCCCCCCCCCCCCCC)ccc1CCCCCCCCCCCCCCC)c1c5c(CCCCCCCCCCCCCCC)ccc1CCCCCCCCCCCCCCC)c1c4c(CCCCCCCCCCCCCCC)ccc1CCCCCCCCCCCCCCC
Systematic name  (4)：
  • 21,24,71,74,121,124,171,174-オクタキスペンタデシルフタロシアニン
  • 21,24,71,74,121,124,171,174-オクタペンタデシルフタロシアニン
  • 5,8,14,17,23,26,32,35-オクタペンタデシル-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-octapentadecyl-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)：
  • 21,24,71,74,121,124,171,174-Octapentadecylphthalocyanine
  • 21,24,71,74,121,124,171,174-Octakispentadecylphthalocyanine
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