Chem
J-GLOBAL ID：200907026335399977   Nikkaji number：J2.439.840D

5,10,15,20-Tetrakis[4-[3-(1-methylpyridinium-3-yl)propionylamino]phenyl]-21H,23H-porphyrin

5,10,15,20-テトラキス[4-[3-(1-メチルピリジニウム-3-イル)プロピオニルアミノ]フェニル]-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： C80H74N8[N+]4O4
Molecular formula furigana： C80-H74-N12-O4
Molecular weight： 1267.550
InChI： InChI=1S/C80H70N12O4/c1-89-45-5-9-53(49-89)13-41-73(93)81-61-25-17-57(18-26-61)77-65-33-35-67(85-65)78(58-19-27-62(28-20-58)82-74(94)42-14-54-10-6-46-90(2)50-54)69-37-39-71(87-69)80(60-23-31-64(32-24-60)84-76(96)44-16-56-12-8-48-92(4)52-56)72-40-38-70(88-72)79(68-36-34-66(77)86-68)59-21-29-63(30-22-59)83-75(95)43-15-55-11-7-47-91(3)51-55/h5-12,17-40,45-52H,13-16,41-44H2,1-4H3,(H2-4,81,82,83,84,85,86,87,88,93,94,95,96)/p+4/b77-65-,77-66-,78-67-,78-69-,79-68-,79-70-,80-71-,80-72-
InChI key： AEKQZCRVBYDVGP-ZEQKYEIZSA-R
SMILES： C[n+]1cccc(CCC(=O)Nc2ccc(cc2)/C/2=c/3\cc/c(=C(/C4=N/C(=C(\c5ccc(/C(=C\6/C=CC2=N6)/c2ccc(NC(=O)CCc6ccc[n+](C)c6)cc2)[nH]5)/c2ccc(NC(=O)CCc5ccc[n+](C)c5)cc2)/C=C4)\c2ccc(NC(=O)CCc4ccc[n+](C)c4)cc2)/[nH]3)c1
Systematic name  (4)：
  • 5,10,15,20-テトラキス[4-[3-(1-メチルピリジニウム-3-イル)プロピオニルアミノ]フェニル]-21H,23H-ポルフィリン
  • 3,3′,3′′,3′′′-[21H,23H-ポルフィリン-5,10,15,20-テトライルテトラキス[(4,1-フェニレン)イミノカルボニルエチレン]]テトラキス(1-メチルピリジニウム)
  • 1-メチル-3-[2-({4-[7,12,17-トリス({4-[3-(1-メチルピリジン-1-イウム-3-イル)プロパンアミド]フェニル})-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]フェニル}カルバモイル)エチル]ピリジン-1-イウム
  • 1-methyl-3-[2-({4-[7,12,17-tris({4-[3-(1-methylpyridin-1-ium-3-yl)propanamido]phenyl})-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]phenyl}carbamoyl)ethyl]pyridin-1-ium
Other name (2)：
  • 5,10,15,20-Tetrakis[4-[3-(1-methylpyridinium-3-yl)propionylamino]phenyl]-21H,23H-porphyrin
  • 3,3′,3′′,3′′′-[21H,23H-Porphyrin-5,10,15,20-tetrayltetrakis[(4,1-phenylene)iminocarbonylethylene]]tetrakis(1-methylpyridinium)
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