Chem
J-GLOBAL ID：200907028003686240   Nikkaji number：J728.194C

2,3,7,8,12,13,17,18-Octabromo-5,10,15,20-tetrakis(1-methylpyridinium-4-yl)-21H,23H-porphyrin

2,3,7,8,12,13,17,18-オクタブロモ-5,10,15,20-テトラキス(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： C44H30Br8N4[N+]4
Molecular formula furigana： C44-H30-BR8-N8
Molecular weight： 1310.010
InChI： InChI=1S/C44H29Br8N8/c1-57-13-5-21(6-14-57)25-37-29(45)31(47)39(53-37)26(22-7-15-58(2)16-8-22)41-33(49)35(51)43(55-41)28(24-11-19-60(4)20-12-24)44-36(52)34(50)42(56-44)27(23-9-17-59(3)18-10-23)40-32(48)30(46)38(25)54-40/h5-20H,1-4H3,(H,53,54,55,56)/q+3/p+1/b37-25-,38-25-,39-26-,40-27-,41-26-,42-27-,43-28-,44-28-
InChI key： TVDYMGMZGQHHIE-YHSVLEDOSA-O
SMILES： C[n+]1ccc(cc1)/C/1=c\2/[nH]/c(=C(\C3=N/C(=C(\c4[nH]c(/C(=C/5\N=C1C(=C5Br)Br)/c1cc[n+](C)cc1)c(c4Br)Br)/c1cc[n+](C)cc1)/C(=C3Br)Br)/c1cc[n+](C)cc1)/c(c2Br)Br
Systematic name  (6)：
  • 4,4′,4′′,4′′′-(2,3,7,8,12,13,17,18-オクタブロモ-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-4-イル)-2,3,7,8,12,13,17,18-オクタブロモ-21H,23H-ポルフィリン
  • 2,3,7,8,12,13,17,18-オクタブロモ-5,10,15,20-テトラキス(1-メチルピリジニウム-4-イル)-21H,23H-ポルフィリン
  • 4,4′,4′′,4′′′-(2,3,7,8,12,13,17,18-オクタブロモ-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-4-[4,5,9,10,14,15,19,20-オクタブロモ-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(22),17,19-ウンデカエン-2-イル]ピリジン-1-イウム
Show all
Other name (5)：
  • 2,3,7,8,12,13,17,18-Octabromo-5,10,15,20-tetrakis(1-methylpyridinium-4-yl)-21H,23H-porphyrin
  • 4,4′,4′′,4′′′-(2,3,7,8,12,13,17,18-Octabromo-21H,23H-porphyrin-5,10,15,20-tetryl)tetrakis(1-methylpyridinium)
  • 5,10,15,20-Tetrakis(1-methylpyridinium-4-yl)-2,3,7,8,12,13,17,18-octabromo-21H,23H-porphyrin
  • 4,4′,4′′,4′′′-(2,3,7,8,12,13,17,18-Octabromo-21H,23H-porphyrin-5,10,15,20-tetrayl)tetra(1-methylpyridinium)
  • 4,4′,4′′,4′′′-(2,3,7,8,12,13,17,18-Octabromo-21H,23H-porphyrin-5,10,15,20-tetrayl)tetrakis(1-methylpyridinium)
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