Chem
J-GLOBAL ID：200907030512811759   Nikkaji number：J1.772.831H

2,3,7,8,12,13,17,18-Octakis(2,5-dimethylthiophen-3-yl)-21H,23H-porphyrazine

2,3,7,8,12,13,17,18-オクタキス(2,5-ジメチルチオフェン-3-イル)-21H,23H-ポルフィラジン
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： C64H58N8S8
Molecular formula furigana： C64-H58-N8-S8
Molecular weight： 1195.700
InChI： InChI=1S/C64H58N8S8/c1-25-17-41(33(9)73-25)49-50(42-18-26(2)74-34(42)10)58-65-57(49)69-59-51(43-19-27(3)75-35(43)11)52(44-20-28(4)76-36(44)12)61(66-59)71-63-55(47-23-31(7)79-39(47)15)56(48-24-32(8)80-40(48)16)64(68-63)72-62-54(46-22-30(6)78-38(46)14)53(60(67-62)70-58)45-21-29(5)77-37(45)13/h17-24H,1-16H3,(H2,65,66,67,68,69,70,71,72)
InChI key： RSPHIPKHMFBZKJ-UHFFFAOYSA-N
SMILES： Cc1cc(c(C)s1)C1=C(c2cc(C)sc2C)/C/2=N/c3[nH]c(/N=C/4\N=C(/N=c/5\[nH]/c(=N\C1=N2)/c(c5c1cc(C)sc1C)c1cc(C)sc1C)C(=C4c1cc(C)sc1C)c1cc(C)sc1C)c(c3c1cc(C)sc1C)c1cc(C)sc1C
Systematic name  (4)：
  • 2,3,7,8,12,13,17,18-オクタキス(2,5-ジメチルチオフェン-3-イル)-21H,23H-ポルフィラジン
  • 2,3,7,8,12,13,17,18-オクタキス(2,5-ジメチル-3-チエニル)-5,10,15,20-テトラアザ-21H,23H-ポルフィリン
  • 4,5,9,10,14,15,19,20-オクタキス(2,5-ジメチルチオフェン-3-イル)-2,7,12,17,21,22,23,24-オクタアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1,3,5,7,9,11(23),12,14,16,18(21),19-ウンデカエン
  • 4,5,9,10,14,15,19,20-octakis(2,5-dimethylthiophen-3-yl)-2,7,12,17,21,22,23,24-octaazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene
Other name (2)：
  • 2,3,7,8,12,13,17,18-Octakis(2,5-dimethyl-3-thienyl)-5,10,15,20-tetraaza-21H,23H-porphyrin
  • 2,3,7,8,12,13,17,18-Octakis(2,5-dimethylthiophen-3-yl)-21H,23H-porphyrazine
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