Chem
J-GLOBAL ID：200907039810190020   Nikkaji number：J1.000.191I

m-TMPyP

meso-テトラキス(3-N-メチルピリジニウミル)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： C44H38N4[N+]4
Molecular formula furigana： C44-H38-N8
Molecular weight： 678.842
InChI： InChI=1S/C44H38N8/c1-49-21-5-9-29(25-49)41-33-13-15-35(45-33)42(30-10-6-22-50(2)26-30)37-17-19-39(47-37)44(32-12-8-24-52(4)28-32)40-20-18-38(48-40)43(36-16-14-34(41)46-36)31-11-7-23-51(3)27-31/h5-28,45,48H,1-4H3/q+4/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
InChI key： JPPCDPGSXNYZST-LWQDQPMZSA-N
SMILES： C[n+]1cccc(c1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccc[n+](C)c1)[nH]4)/c1ccc[n+](C)c1)/C=C3)\c1ccc[n+](C)c1)/[nH]2
Systematic name  (5)：
  • 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-メチルピリジニウム)
  • 5,10,15,20-テトラキス(1-メチルピリジニウム-3-イル)-21H,23H-ポルフィリン
  • 3,3′,3′′,3′′′-(21H,23H-ポルフィリン-5,10,15,20-テトライル)テトラ(1-メチルピリジニウム)
  • 1-メチル-3-[7,12,17-トリス(1-メチルピリジン-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-methyl-3-[7,12,17-tris(1-methylpyridin-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 (6)：
  • 3,3′,3′′,3′′′-(21H,23H-Porphyrin-5,10,15,20-tetryl)tetrakis(1-methylpyridinium)
  • 5,10,15,20-Tetrakis(1-methylpyridinium-3-yl)-21H,23H-porphyrin
  • m-TMPyP
  • meso-テトラキス(3-N-メチルピリジニウミル)ポルフィリン
  • meso-Tetrakis(3-N-methylpyridiniumyl)porphyrin
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