Chem
J-GLOBAL ID：200907035841742760   Nikkaji number：J2.627.011A

5,10,15,20-Tetrakis[4-(pyridiniomethyl)phenyl]-7-aza-22-carba-21H,23H-porphyrin

5,10,15,20-テトラキス[4-(ピリジニオメチル)フェニル]-7-アザ-22-カルバ-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： C68H54N4[N+]4
Molecular formula furigana： C68-H54-N8
Molecular weight： 983.234
InChI： InChI=1S/C68H54N8/c1-5-35-73(36-6-1)45-49-13-21-53(22-14-49)65-57-43-64(69-44-57)68(56-27-19-52(20-28-56)48-76-41-11-4-12-42-76)63-34-33-62(72-63)67(55-25-17-51(18-26-55)47-75-39-9-3-10-40-75)61-32-31-60(71-61)66(59-30-29-58(65)70-59)54-23-15-50(16-24-54)46-74-37-7-2-8-38-74/h1-44,70,72H,45-48H2/q+4/b65-57+,65-58-,66-59-,66-60-,67-61-,67-62-,68-63-,68-64+
InChI key： VXVBIHRGTNKUHC-GUQIZYSSSA-N
SMILES： C(c1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/N=CC1=C5)/c1ccc(C[n+]5ccccc5)cc1)[nH]4)/c1ccc(C[n+]4ccccc4)cc1)/C=C3)\c1ccc(C[n+]3ccccc3)cc1)/[nH]2)[n+]1ccccc1
Systematic name  (2)：
  • 5,10,15,20-テトラキス[4-(ピリジニオメチル)フェニル]-7-アザ-22-カルバ-21H,23H-ポルフィリン
  • 5,10,15,20-テトラキス[4-(ピリジニウム-1-イルメチル)フェニル]-7-アザ-22-カルバ-21H,23H-ポルフィリン
Other name (2)：
  • 5,10,15,20-Tetrakis[4-(pyridiniomethyl)phenyl]-7-aza-22-carba-21H,23H-porphyrin
  • 5,10,15,20-Tetrakis[4-(pyridinium-1-ylmethyl)phenyl]-7-aza-22-carba-21H,23H-porphyrin
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