Chem
J-GLOBAL ID：200907084127635748   Nikkaji number：J1.982.051C

21,24,71,74,121,124,171,174-Octadodecyl-22,23:72,73:122,123:172,173-tetrakis(o-xylylenebisthio)phthalocyanine

21,24,71,74,121,124,171,174-オクタドデシル-22,23:72,73:122,123:172,173-テトラキス(o-キシリレンビスチオ)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： C160H234N8S8
Molecular formula furigana： C160-H234-N8-S8
Molecular weight： 2526.170
InChI： InChI=1S/C160H234N8S8/c1-9-17-25-33-41-49-57-65-73-81-105-129-137-138(130(106-82-74-66-58-50-42-34-26-18-10-2)146-145(129)169-113-121-97-89-90-98-122(121)114-170-146)154-161-153(137)165-155-139-131(107-83-75-67-59-51-43-35-27-19-11-3)147-148(172-116-124-100-92-91-99-123(124)115-171-147)132(108-84-76-68-60-52-44-36-28-20-12-4)140(139)157(162-155)167-159-143-135(111-87-79-71-63-55-47-39-31-23-15-7)151-152(176-120-128-104-96-95-103-127(128)119-175-151)136(112-88-80-72-64-56-48-40-32-24-16-8)144(143)160(164-159)168-158-142-134(110-86-78-70-62-54-46-38-30-22-14-6)150-149(173-117-125-101-93-94-102-126(125)118-174-150)133(141(142)156(163-158)166-154)109-85-77-69-61-53-45-37-29-21-13-5/h89-104H,9-88,105-120H2,1-8H3,(H2,161,162,163,164,165,166,167,168)
InChI key： HUUBMTMCWFTZJR-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCc1c2SCc3ccccc3CSc2c(CCCCCCCCCCCC)c2/C/3=N/c4[nH]c(/N=C/5\N=C(/N=c/6\[nH]/c(=N\C(=N3)c12)/c1c6c(CCCCCCCCCCCC)c2SCc3ccccc3CSc2c1CCCCCCCCCCCC)c1c5c(CCCCCCCCCCCC)c2SCc3ccccc3CSc2c1CCCCCCCCCCCC)c1c4c(CCCCCCCCCCCC)c2SCc3ccccc3CSc2c1CCCCCCCCCCCC
Systematic name  (6)：
  • 21,24,71,74,121,124,171,174-オクタドデシル-22,23-[1,2-フェニレンビス(メチレンチオ)]-72,73-[1,2-フェニレンビス(メチレンチオ)]-122,123-[1,2-フェニレンビス(メチレンチオ)]-172,173-[1,2-フェニレンビス(メチレンチオ)]-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-オクタドデシル-22,23:72,73:122,123:172,173-テトラ[1,2-フェニレンビス(メチレンチオ)]フタロシアニン
  • 21,24,71,74,121,124,171,174-オクタドデシル-22,23-[o-フェニレンビス(メチレンチオ)]-72,73-[o-フェニレンビス(メチレンチオ)]-122,123-[o-フェニレンビス(メチレンチオ)]-172,173-[o-フェニレンビス(メチレンチオ)]-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-オクタドデシル-22,23:72,73:122,123:172,173-テトラキス(o-キシリレンビスチオ)フタロシアニン
  • 5,18,24,37,43,56,62,75-オクタドデシル-7,16,26,35,45,54,64,73-オクタチア-2,21,40,59,77,78,79,80-オクタアザヘプタデカシクロ[58.16.1.13,20.122,39.141,58.04,19.06,17.09,14.023,38.025,36.028,33.042,57.044,55.047,52.061,76.063,74.066,71]オクタコンタ-1,3,5,9,11,13,17,19,21,23,25(36),28,30,32,37,39(79),40,42,44(55),47,49,51,56,58,60(77),61,63(74),66,68,70,75-ヘントリアコンタエン
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Other name (4)：
  • 21,24,71,74,121,124,171,174-Octadodecyl-22,23-[1,2-phenylenebis(methylenethio)]-72,73-[1,2-phenylenebis(methylenethio)]-122,123-[1,2-phenylenebis(methylenethio)]-172,173-[1,2-phenylenebis(methylenethio)]-5,10,15,20-tetraaza-21H,23H-tetrabenzo[b,g,l,q]porphyrin
  • 21,24,71,74,121,124,171,174-Octadodecyl-22,23:72,73:122,123:172,173-tetrakis(o-xylylenebisthio)phthalocyanine
  • 21,24,71,74,121,124,171,174-Octadodecyl-22,23-[o-phenylenebis(methylenethio)]-72,73-[o-phenylenebis(methylenethio)]-122,123-[o-phenylenebis(methylenethio)]-172,173-[o-phenylenebis(methylenethio)]-5,10,15,20-tetraaza-21H,23H-tetrabenzo[b,g,l,q]porphyrin
  • 21,24,71,74,121,124,171,174-Octadodecyl-22,23:72,73:122,123:172,173-tetra[1,2-phenylenebis(methylenethio)]phthalocyanine
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