Chem
J-GLOBAL ID:200907042250191744   Nikkaji number:J2.545.794C

5,10,15,20-Tetrakis[3,5-bis[(4-carboxybenzyl)oxy]phenyl]-21H,23H-porphyrin

5,10,15,20-テトラキス[3,5-ビス[(4-カルボキシベンジル)オキシ]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: C108H78N4O24
Molecular formula furigana: C108-H78-N4-O24
Molecular weight: 1815.816
InChI: InChI=1S/C108H78N4O24/c113-101(114)69-17-1-61(2-18-69)53-129-81-41-77(42-82(49-81)130-54-62-3-19-70(20-4-62)102(115)116)97-89-33-35-91(109-89)98(78-43-83(131-55-63-5-21-71(22-6-63)103(117)118)50-84(44-78)132-56-64-7-23-72(24-8-64)104(119)120)93-37-39-95(111-93)100(80-47-87(135-59-67-13-29-75(30-14-67)107(125)126)52-88(48-80)136-60-68-15-31-76(32-16-68)108(127)128)96-40-38-94(112-96)99(92-36-34-90(97)110-92)79-45-85(133-57-65-9-25-73(26-10-65)105(121)122)51-86(46-79)134-58-66-11-27-74(28-12-66)106(123)124/h1-52,109,112H,53-60H2,(H,113,114)(H,115,116)(H,117,118)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128)/b97-89-,97-90-,98-91-,98-93-,99-92-,99-94-,100-95-,100-96-
InChI key: NDYUQGRJCXQHDY-YCEIBDQGSA-N
SMILES: OC(=O)c1ccc(COc2cc(OCc3ccc(cc3)C(=O)O)cc(c2)/C/2=c/3\cc/c(=C(/C4=N/C(=C(\c5ccc(/C(=C\6/C=CC2=N6)/c2cc(OCc6ccc(cc6)C(=O)O)cc(OCc6ccc(cc6)C(=O)O)c2)[nH]5)/c2cc(OCc5ccc(cc5)C(=O)O)cc(OCc5ccc(cc5)C(=O)O)c2)/C=C4)\c2cc(OCc4ccc(cc4)C(=O)O)cc(OCc4ccc(cc4)C(=O)O)c2)/[nH]3)cc1
Systematic name  (3):
  • 5,10,15,20-テトラキス[3,5-ビス[(4-カルボキシベンジル)オキシ]フェニル]-21H,23H-ポルフィリン
  • 4-({3-[(4-カルボキシフェニル)メトキシ]-5-[7,12,17-トリス({3,5-ビス[(4-カルボキシフェニル)メトキシ]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]フェノキシ}メチル)安息香酸
  • 4-({3-[(4-carboxyphenyl)methoxy]-5-[7,12,17-tris({3,5-bis[(4-carboxyphenyl)methoxy]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]phenoxy}methyl)benzoic acid
Other name (1):
  • 5,10,15,20-Tetrakis[3,5-bis[(4-carboxybenzyl)oxy]phenyl]-21H,23H-porphyrin
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