Chem
J-GLOBAL ID：200907082504359863   Nikkaji number：J1.474.452E

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

21,24,71,74,121,124,171,174-オクタド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： C128H210N8
Molecular formula furigana： C128-H210-N8
Molecular weight： 1861.144
InChI： InChI=1S/C128H210N8/c1-9-17-25-33-41-49-57-65-73-81-89-105-97-98-106(90-82-74-66-58-50-42-34-26-18-10-2)114-113(105)121-129-122(114)134-124-117-109(93-85-77-69-61-53-45-37-29-21-13-5)101-102-110(94-86-78-70-62-54-46-38-30-22-14-6)118(117)126(131-124)136-128-120-112(96-88-80-72-64-56-48-40-32-24-16-8)104-103-111(95-87-79-71-63-55-47-39-31-23-15-7)119(120)127(132-128)135-125-116-108(92-84-76-68-60-52-44-36-28-20-12-4)100-99-107(115(116)123(130-125)133-121)91-83-75-67-59-51-43-35-27-19-11-3/h97-104H,9-96H2,1-8H3,(H2,129,130,131,132,133,134,135,136)
InChI key： ZLLGULOHZGLOAE-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCc1ccc(CCCCCCCCCCCC)c2/C/3=N/c4[nH]c(/N=C/5\N=C(/N=c/6\[nH]/c(=N\C(=N3)c12)/c1c6c(CCCCCCCCCCCC)ccc1CCCCCCCCCCCC)c1c5c(CCCCCCCCCCCC)ccc1CCCCCCCCCCCC)c1c4c(CCCCCCCCCCCC)ccc1CCCCCCCCCCCC
Systematic name  (3)：
  • 21,24,71,74,121,124,171,174-オクタドデシルフタロシアニン
  • 5,8,14,17,23,26,32,35-オクタドデシル-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-octadodecyl-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)：
  • 21,24,71,74,121,124,171,174-Octadodecylphthalocyanine
Thsaurus map：
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