Chem
J-GLOBAL ID：201307003398759801   Nikkaji number：J3.192.268B

5,10,15,20-Tetra(3-trimethylsilyl-5-ethoxycarbonylphenyl)-21H,23H-tetrabenzo[b,g,l,q]porphyrin-22,23,72,73,122,123,172,173-octa(carboxylic acid methyl) ester

5,10,15,20-テトラ(3-トリメチルシリル-5-エトキシカルボニルフェニル)-21H,23H-テトラベンゾ[b,g,l,q]ポルフィリン-22,23,72,73,122,123,172,173-オクタ(カルボン酸メチル)
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： C100H102N4O24Si4
Molecular formula furigana： C100-H102-N4-O24-SI4
Molecular weight： 1856.260
InChI： InChI=1S/C100H102N4O24Si4/c1-25-125-89(105)53-29-49(33-57(37-53)129(13,14)15)77-81-61-41-69(93(109)117-5)71(95(111)119-7)43-63(61)83(101-81)78(50-30-54(90(106)126-26-2)38-58(34-50)130(16,17)18)85-65-45-73(97(113)121-9)75(99(115)123-11)47-67(65)87(103-85)80(52-32-56(92(108)128-28-4)40-60(36-52)132(22,23)24)88-68-48-76(100(116)124-12)74(98(114)122-10)46-66(68)86(104-88)79(51-31-55(91(107)127-27-3)39-59(35-51)131(19,20)21)84-64-44-72(96(112)120-8)70(94(110)118-6)42-62(64)82(77)102-84/h29-48,101,104H,25-28H2,1-24H3/b81-77-,82-77-,83-78-,84-79-,85-78-,86-79-,87-80-,88-80-
InChI key： KWBPXLAGBKGCAD-ZPSWPMPESA-N
SMILES： CCOC(=O)c1cc(cc(c1)[Si](C)(C)C)/C/1=C\2/N=C(/C(=c/3\[nH]/c(=C(/c4cc(cc(c4)[Si](C)(C)C)C(=O)OCC)\C4=N/C(=C(/c5cc(cc(c5)[Si](C)(C)C)C(=O)OCC)\c5[nH]c1c1cc(C(=O)OC)c(cc51)C(=O)OC)/c1cc(C(=O)OC)c(cc41)C(=O)OC)/c1cc(C(=O)OC)c(cc31)C(=O)OC)/c1cc(cc(c1)[Si](C)(C)C)C(=O)OCC)c1cc(C(=O)OC)c(cc21)C(=O)OC
Systematic name  (3)：
  • 5,10,15,20-テトラ(3-トリメチルシリル-5-エトキシカルボニルフェニル)-21H,23H-テトラベンゾ[b,g,l,q]ポルフィリン-22,23,72,73,122,123,172,173-オクタ(カルボン酸メチル)
  • 6,7,15,16,24,25,33,34-オクタメチル 2,11,20,29-テトラキス[3-(エトキシカルボニル)-5-(トリメチルシリル)フェニル]-37,38,39,40-テトラアザノナシクロ[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]テトラコンタ-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-ノナデカエン-6,7,15,16,24,25,33,34-オクタカルボキシラート
  • 6,7,15,16,24,25,33,34-octamethyl 2,11,20,29-tetrakis[3-(ethoxycarbonyl)-5-(trimethylsilyl)phenyl]-37,38,39,40-tetraazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-6,7,15,16,24,25,33,34-octacarboxylate
Other name (1)：
  • 5,10,15,20-Tetra(3-trimethylsilyl-5-ethoxycarbonylphenyl)-21H,23H-tetrabenzo[b,g,l,q]porphyrin-22,23,72,73,122,123,172,173-octa(carboxylic acid methyl) ester
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