Chem
J-GLOBAL ID：200907026177961140   Nikkaji number：J2.508.604J

21,24,71,74,121,124,171,174-Octaethoxy-22,23,72,73,122,123,172,173-octakis(2,2′-bithiophene-5-yl)phthalocyanine

21,24,71,74,121,124,171,174-オクタエトキシ-22,23,72,73,122,123,172,173-オクタキス(2,2′-ビチオフェン-5-イル)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： C112H82N8O8S16
Molecular formula furigana： C112-H82-N8-O8-S16
Molecular weight： 2180.900
InChI： InChI=1S/C112H82N8O8S16/c1-9-121-97-81(73-41-33-65(137-73)57-25-17-49-129-57)82(74-42-34-66(138-74)58-26-18-50-130-58)98(122-10-2)90-89(97)105-113-106(90)118-108-93-94(102(126-14-6)86(78-46-38-70(142-78)62-30-22-54-134-62)85(101(93)125-13-5)77-45-37-69(141-77)61-29-21-53-133-61)110(115-108)120-112-96-95(103(127-15-7)87(79-47-39-71(143-79)63-31-23-55-135-63)88(104(96)128-16-8)80-48-40-72(144-80)64-32-24-56-136-64)111(116-112)119-109-92-91(107(114-109)117-105)99(123-11-3)83(75-43-35-67(139-75)59-27-19-51-131-59)84(100(92)124-12-4)76-44-36-68(140-76)60-28-20-52-132-60/h17-56H,9-16H2,1-8H3,(H2,113,114,115,116,117,118,119,120)
InChI key： IBIIBHJQKTUAGO-UHFFFAOYSA-N
SMILES： CCOc1c(c2ccc(s2)c2cccs2)c(c2ccc(s2)c2cccs2)c(OCC)c2/C/3=N/c4[nH]c(/N=C/5\N=C(/N=c/6\[nH]/c(=N\C(=N3)c12)/c1c6c(OCC)c(c2ccc(s2)c2cccs2)c(c2ccc(s2)c2cccs2)c1OCC)c1c5c(OCC)c(c2ccc(s2)c2cccs2)c(c2ccc(s2)c2cccs2)c1OCC)c1c4c(OCC)c(c2ccc(s2)c2cccs2)c(c2ccc(s2)c2cccs2)c1OCC
Systematic name  (3)：
  • 21,24,71,74,121,124,171,174-オクタエトキシ-22,23,72,73,122,123,172,173-オクタキス(2,2′-ビチオフェン-5-イル)フタロシアニン
  • 6,7,15,16,24,25,33,34-オクタキス({[2,2'-ビチオフェン]-5-イル})-5,8,14,17,23,26,32,35-オクタエトキシ-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
  • 6,7,15,16,24,25,33,34-octakis({[2,2'-bithiophen]-5-yl})-5,8,14,17,23,26,32,35-octaethoxy-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-Octaethoxy-22,23,72,73,122,123,172,173-octakis(2,2′-bithiophene-5-yl)phthalocyanine
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM