Chem
J-GLOBAL ID：200907017473814269   Nikkaji number：J1.511.519J

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

2,3,7,8,12,13,17,18-オクタエチル-5-[4-(4-ヘキシル-2-チエニル)-1,3-ブタジイニル]-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/c1-10-19-20-21-24-32-27-33(55-31-32)25-22-23-26-42-49-40(17-8)38(15-6)47(53-49)29-45-36(13-4)34(11-2)43(51-45)28-44-35(12-3)37(14-5)46(52-44)30-48-39(16-7)41(18-9)50(42)54-48/h27-31,51,54H,10-21,24H2,1-9H3/b43-28-,44-28-,45-29-,46-30-,47-29-,48-30-,49-42-,50-42-
InChI key： JLEALNFGBMWZEC-PJQIMDBISA-N
SMILES： CCCCCCc1csc(c1)C#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  (4)：
  • 2,3,7,8,12,13,17,18-オクタエチル-5-[4-(4-ヘキシル-2-チエニル)-1,3-ブタジイニル]-21H,23H-ポルフィリン
  • 5-[4-(4-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
  • 4,5,9,10,14,15,19,20-オクタエチル-2-[4-(4-ヘキシルチオフェン-2-イル)ブタ-1,3-ジイン-1-イル]-21,22,23,24-テトラアザペンタシクロ[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-octaethyl-2-[4-(4-hexylthiophen-2-yl)buta-1,3-diyn-1-yl]-21,22,23,24-tetraazapentacyclo[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)：
  • 5-[4-(4-Hexyl-2-thienyl)-1,3-butadiynyl]-2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphyrin
  • 2,3,7,8,12,13,17,18-Octaethyl-5-[4-(4-hexyl-2-thienyl)-1,3-butadiynyl]-21H,23H-porphyrin
Thsaurus map：
Thesaurus Map

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