Chem
J-GLOBAL ID：200907012721626138   Nikkaji number：J1.658.049J

2,8,12,18-Tetraethyl-3,7,13,17-tetramethyl-5-[17-amino-25,27-dipropoxy-26,28-bis[3,5-di(tert-butyl)benzyloxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecene-5-yl]-15-phenyl-21H,23H-porphyrin

2,8,12,18-テトラエチル-3,7,13,17-テトラメチル-5-[17-アミノ-25,27-ジプロポキシ-26,28-ビス[3,5-ジ(tert-ブチル)ベンジルオキシ]ペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-5-イル]-15-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： C102H121N5O4
Molecular formula furigana： C102-H121-N5-O4
Molecular weight： 1481.121
InChI： InChI=1S/C102H121N5O4/c1-23-40-108-95-67-36-32-38-69(95)48-74-52-80(103)53-75(98(74)111-59-65-44-78(101(17,18)19)55-79(45-65)102(20,21)22)49-70-39-33-37-68(96(70)109-41-24-2)47-73-51-71(50-72(46-67)97(73)110-58-64-42-76(99(11,12)13)54-77(43-64)100(14,15)16)90-93-62(9)83(27-5)87(106-93)56-85-81(25-3)60(7)91(104-85)89(66-34-30-29-31-35-66)92-61(8)82(26-4)86(105-92)57-88-84(28-6)63(10)94(90)107-88/h29-39,42-45,50-57,104,107H,23-28,40-41,46-49,58-59,103H2,1-22H3/b85-56-,86-57-,87-56?,88-57?,91-89-,92-89?,93-90-,94-90?
InChI key： CQCIEQCGLJYRJL-FZMCWIDYSA-N
SMILES： CCCOc1c2Cc3cc(N)cc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5OCc1cc(cc(c1)C(C)(C)C)C(C)(C)C)C1=c2[nH]c(=CC5=NC(=C(c6[nH]c(C=C7N=C1C(=C7CC)C)c(c6C)CC)c1ccccc1)C(=C5CC)C)c(c2C)CC)c4OCCC)c3OCc1cc(cc(c1)C(C)(C)C)C(C)(C)C
Systematic name  (3)：
  • 2,8,12,18-テトラエチル-3,7,13,17-テトラメチル-5-[17-アミノ-25,27-ジプロポキシ-26,28-ビス[3,5-ジ(tert-ブチル)ベンジルオキシ]ペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-5-イル]-15-フェニル-21H,23H-ポルフィリン
  • 26,28-ビス[(3,5-ジ-tert-ブチルフェニル)メトキシ]-25,27-ジプロポキシ-17-{5,9,15,19-テトラエチル-4,10,14,20-テトラメチル-12-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}ペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-5-アミン
  • 26,28-bis[(3,5-di-tert-butylphenyl)methoxy]-25,27-dipropoxy-17-{5,9,15,19-tetraethyl-4,10,14,20-tetramethyl-12-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}pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaen-5-amine
Other name (1)：
  • 2,8,12,18-Tetraethyl-3,7,13,17-tetramethyl-5-[17-amino-25,27-dipropoxy-26,28-bis[3,5-di(tert-butyl)benzyloxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecene-5-yl]-15-phenyl-21H,23H-porphyrin
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