Chem
J-GLOBAL ID：200907068424621556   Nikkaji number：J2.341.503H

4,4′-[10,20-Bis[4-[3-(1H-pyrrole-1-yl)propoxy]phenyl]-21H,23H-porphyrin-5,15-diyl]bis(1-methylpyridinium)

4,4′-[10,20-ビス[4-[3-(1H-ピロール-1-イル)プロポキシ]フェニル]-21H,23H-ポルフィリン-5,15-ジイル]ビス(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： C58H52N6[N+]2O2
Molecular formula furigana： C58-H52-N8-O2
Molecular weight： 893.107
InChI： InChI=1S/C58H51N8O2/c1-63-35-25-43(26-36-63)57-51-21-17-47(59-51)55(41-9-13-45(14-10-41)67-39-7-33-65-29-3-4-30-65)49-19-23-53(61-49)58(44-27-37-64(2)38-28-44)54-24-20-50(62-54)56(48-18-22-52(57)60-48)42-11-15-46(16-12-42)68-40-8-34-66-31-5-6-32-66/h3-6,9-32,35-38H,7-8,33-34,39-40H2,1-2H3,(H,59,60,61,62)/q+1/p+1/b55-47-,55-49-,56-48-,56-50-,57-51-,57-52-,58-53-,58-54-
InChI key： ZKXFOPFJWYNGRM-UJNHEQPASA-O
SMILES： C[n+]1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccc(OCCCn5cccc5)cc1)[nH]4)/c1cc[n+](C)cc1)/C=C3)\c1ccc(OCCCn3cccc3)cc1)/[nH]2
Systematic name  (3)：
  • 4,4′-[10,20-ビス[4-[3-(1H-ピロール-1-イル)プロポキシ]フェニル]-21H,23H-ポルフィリン-5,15-ジイル]ビス(1-メチルピリジニウム)
  • 1-メチル-4-[12-(1-メチルピリジン-1-イウム-4-イル)-7,17-ビス({4-[3-(1H-ピロール-1-イル)プロポキシ]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]ピリジン-1-イウム
  • 1-methyl-4-[12-(1-methylpyridin-1-ium-4-yl)-7,17-bis({4-[3-(1H-pyrrol-1-yl)propoxy]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]pyridin-1-ium
Other name (1)：
  • 4,4′-[10,20-Bis[4-[3-(1H-pyrrole-1-yl)propoxy]phenyl]-21H,23H-porphyrin-5,15-diyl]bis(1-methylpyridinium)
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