Chem
J-GLOBAL ID：200907098036065370   Nikkaji number：J1.511.520C

5-[4-(3-Hexyl-2-thienyl)-1,3-butadiynyl]-2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphyrin

5-[4-(3-ヘキシル-2-チエニル)-1,3-ブタジイニル]-2,3,7,8,12,13,17,18-オクタエチル-21H,23H-ポルフィリン
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： C50H60N4S
Molecular formula furigana： C50-H60-N4-S
Molecular weight： 749.120
InChI： InChI=1S/C50H60N4S/c1-10-19-20-21-24-32-27-28-55-48(32)26-23-22-25-41-49-39(17-8)37(15-6)46(53-49)30-44-35(13-4)33(11-2)42(51-44)29-43-34(12-3)36(14-5)45(52-43)31-47-38(16-7)40(18-9)50(41)54-47/h27-31,51,54H,10-21,24H2,1-9H3/b42-29-,43-29-,44-30-,45-31-,46-30-,47-31-,49-41-,50-41-
InChI key： XXXPUGOCVCPDEX-ALOZFGPESA-N
SMILES： CCCCCCc1ccsc1C#CC#C/C/1=C\2/N=C(/C=c/3\[nH]/c(=C\C4=N/C(=C\c5[nH]c1c(CC)c5CC)/C(=C4CC)CC)/c(CC)c3CC)C(=C2CC)CC
Systematic name  (1)：
  • 5-[4-(3-ヘキシル-2-チエニル)-1,3-ブタジイニル]-2,3,7,8,12,13,17,18-オクタエチル-21H,23H-ポルフィリン
Other name (1)：
  • 5-[4-(3-Hexyl-2-thienyl)-1,3-butadiynyl]-2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphyrin
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