Chem
J-GLOBAL ID：200907012210836215   Nikkaji number：J2.096.016G

4,4′,4′′,4′′′-(21H,22H-Porphyrin-5,10,15,20-tetryl)tetrakis(1-methylpyridinium)

4,4′,4′′,4′′′-(21H,22H-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)
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/C44H37N8/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31/h5-28H,1-4H3,(H,45,46,47,48)/q+3/p+1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
InChI key： ABCGFHPGHXSVKI-LWQDQPMZSA-O
SMILES： C[n+]1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(/c3ccc(/C(=C\4/C=CC1=N4)/c1cc[n+](C)cc1)[nH]3)\c1cc[n+](C)cc1)/[nH]2)/c1cc[n+](C)cc1
Systematic name  (3)：
  • 4,4′,4′′,4′′′-(21H,22H-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)
  • 1-メチル-4-[7,12,17-トリス(1-メチルピリジン-1-イウム-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),4,6,8,10,12,14,16,18(21),19-ウンデカエン-2-イル]ピリジン-1-イウム
  • 1-methyl-4-[7,12,17-tris(1-methylpyridin-1-ium-4-yl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16,18(21),19-undecaen-2-yl]pyridin-1-ium
Other name (2)：
  • 4,4′,4′′,4′′′-(21H,22H-Porphyrin-5,10,15,20-tetryl)tetrakis(1-methylpyridinium)
  • 4,4′,4′′,4′′′-(21H,22H-Porphyrin-5,10,15,20-tetrayl)tetrakis(1-methylpyridinium)
Thsaurus map：
Thesaurus Map

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