Chem
J-GLOBAL ID：200907086314354097   Nikkaji number：J1.071.566K

4,4′,4′′-[20-[4-(Tetradecyloxy)phenyl]-21H,23H-porphyrin-5,10,15-triyl]trisbenzoic acid

4,4′,4′′-[20-[4-(テトラデシルオキシ)フェニル]-21H,23H-ポルフィリン-5,10,15-トリイル]トリス安息香酸
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： C61H58N4O7
Molecular formula furigana： C61-H58-N4-O7
Molecular weight： 959.156
InChI： InChI=1S/C61H58N4O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-38-72-46-28-26-42(27-29-46)58-53-36-34-51(64-53)56(40-16-22-44(23-17-40)60(68)69)49-32-30-47(62-49)55(39-14-20-43(21-15-39)59(66)67)48-31-33-50(63-48)57(52-35-37-54(58)65-52)41-18-24-45(25-19-41)61(70)71/h14-37,62,65H,2-13,38H2,1H3,(H,66,67)(H,68,69)(H,70,71)/b55-47-,55-48-,56-49-,56-51-,57-50-,57-52-,58-53-,58-54-
InChI key： YINZEZZSWKNDOJ-MXRZNNOWSA-N
SMILES： CCCCCCCCCCCCCCOc1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccc(cc1)C(=O)O)[nH]4)/c1ccc(cc1)C(=O)O)/C=C3)\c1ccc(cc1)C(=O)O)/[nH]2
Systematic name  (3)：
  • 4,4′,4′′-[20-[4-(テトラデシルオキシ)フェニル]-21H,23H-ポルフィリン-5,10,15-トリイル]トリス安息香酸
  • 4-[7,12-ビス(4-カルボキシフェニル)-17-[4-(テトラデシルオキシ)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-1,3,5,7,9,11(23),12,14,16,18(21),19-ウンデカエン-2-イル]安息香酸
  • 4-[7,12-bis(4-carboxyphenyl)-17-[4-(tetradecyloxy)phenyl]-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-yl]benzoic acid
Other name (1)：
  • 4,4′,4′′-[20-[4-(Tetradecyloxy)phenyl]-21H,23H-porphyrin-5,10,15-triyl]trisbenzoic acid
Thsaurus map：
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