Chem
J-GLOBAL ID：200907040138122486   Nikkaji number：J1.627.759B

5,10,15,20-Tetrakis(1-ethylpyridinium-3-yl)-21H,23H-porphyrin

5,10,15,20-テトラキス(1-エチルピリジニウム-3-イル)-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： C48H46N4[N+]4
Molecular formula furigana： C48-H46-N8
Molecular weight： 734.950
InChI： InChI=1S/C48H46N8/c1-5-53-25-9-13-33(29-53)45-37-17-19-39(49-37)46(34-14-10-26-54(6-2)30-34)41-21-23-43(51-41)48(36-16-12-28-56(8-4)32-36)44-24-22-42(52-44)47(40-20-18-38(45)50-40)35-15-11-27-55(7-3)31-35/h9-32,49,52H,5-8H2,1-4H3/q+4/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-
InChI key： DQVJPPBWQUDZTB-PJEPRTEXSA-N
SMILES： CC[n+]1cccc(c1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccc[n+](CC)c1)[nH]4)/c1ccc[n+](CC)c1)/C=C3)\c1ccc[n+](CC)c1)/[nH]2
Systematic name  (4)：
  • 3,3′,3′′,3′′′-(21H,23H-ポルフィリン-5,10,15,20-テトライル)テトラキス(1-エチルピリジニウム)
  • 5,10,15,20-テトラキス(1-エチルピリジニウム-3-イル)-21H,23H-ポルフィリン
  • 1-エチル-3-[7,12,17-トリス(1-エチルピリジン-1-イウム-3-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(24),4,6,8,10,12,14,16(22),17,19-ウンデカエン-2-イル]ピリジン-1-イウム
  • 1-ethyl-3-[7,12,17-tris(1-ethylpyridin-1-ium-3-yl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]pyridin-1-ium
Other name (2)：
  • 3,3′,3′′,3′′′-(21H,23H-Porphyrin-5,10,15,20-tetryl)tetrakis(1-ethylpyridinium)
  • 5,10,15,20-Tetrakis(1-ethylpyridinium-3-yl)-21H,23H-porphyrin
Thsaurus map：
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