Chem
J-GLOBAL ID：200907032520812198   Nikkaji number：J1.846.610D

20-(4-Pyridyl)-5,10,15-tris(1-methylpyridinium-4-yl)-21H,23H-porphyrin

20-(4-ピリジル)-5,10,15-トリス(1-メチルピリジニウム-4-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： C43H35N5[N+]3
Molecular formula furigana： C43-H35-N8
Molecular weight： 663.807
InChI： InChI=1S/C43H34N8/c1-49-22-14-29(15-23-49)41-34-6-4-32(45-34)40(28-12-20-44-21-13-28)33-5-7-35(46-33)42(30-16-24-50(2)25-17-30)37-9-11-39(48-37)43(38-10-8-36(41)47-38)31-18-26-51(3)27-19-31/h4-27H,1-3H3,(H,45,46,47,48)/q+2/p+1/b40-32-,40-33-,41-34-,41-36-,42-35-,42-37-,43-38-,43-39-
InChI key： KYOCTJGDLJGTBU-GBQNNRHKSA-O
SMILES： C[n+]1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccncc1)[nH]4)/c1cc[n+](C)cc1)/C=C3)\c1cc[n+](C)cc1)/[nH]2
Systematic name  (5)：
  • 20-(4-ピリジル)-5,10,15-トリス(1-メチルピリジニウム-4-イル)-21H,23H-ポルフィリン
  • 5,10,15-トリス(1-メチルピリジニウム-4-イル)-20-(4-ピリジル)-21H,23H-ポルフィリン
  • 4,4′,4′′-[5-(4-ピリジル)-21H,23H-ポルフィリン-10,15,20-トリイル]トリス(1-メチルピリジニウム)
  • 4-[12,17-ビス(1-メチルピリジン-1-イウム-4-イル)-7-(ピリジン-4-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]-1-メチルピリジン-1-イウム
  • 4-[12,17-bis(1-methylpyridin-1-ium-4-yl)-7-(pyridin-4-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]-1-methylpyridin-1-ium
Other name (3)：
  • 20-(4-Pyridyl)-5,10,15-tris(1-methylpyridinium-4-yl)-21H,23H-porphyrin
  • 5,10,15-Tris(1-methylpyridinium-4-yl)-20-(4-pyridyl)-21H,23H-porphyrin
  • 4,4′,4′′-[5-(4-Pyridyl)-21H,23H-porphyrin-10,15,20-triyl]tris(1-methylpyridinium)
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