Chem
J-GLOBAL ID：200907038526235425   Nikkaji number：J1.068.130H

3,7,13,17-Tetramethyl-2,8,12,18-tetraethyl-5,15-bis[2-(benzoylamino)phenyl]-21H,23H-porphyrin

3,7,13,17-テトラメチル-2,8,12,18-テトラエチル-5,15-ビス[2-(ベンゾイルアミノ)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： C58H56N6O2
Molecular formula furigana： C58-H56-N6-O2
Molecular weight： 869.126
InChI： InChI=1S/C58H56N6O2/c1-9-39-33(5)53-51(43-27-19-21-29-45(43)63-57(65)37-23-15-13-16-24-37)54-35(7)41(11-3)49(61-54)32-50-42(12-4)36(8)56(62-50)52(55-34(6)40(10-2)48(60-55)31-47(39)59-53)44-28-20-22-30-46(44)64-58(66)38-25-17-14-18-26-38/h13-32,59,62H,9-12H2,1-8H3,(H,63,65)(H,64,66)/b47-31-,48-31-,49-32-,50-32-,53-51-,54-51-,55-52-,56-52-
InChI key： ZKABQMUBOYBHDU-JOTUAKGVSA-N
SMILES： CCC1=C(C)C2=N/C/1=C\c1[nH]c(c(C)c1CC)/C(=C/1\N=C(/C=c/3\[nH]/c(=C\2/c2ccccc2NC(=O)c2ccccc2)/c(C)c3CC)C(=C1C)CC)/c1ccccc1NC(=O)c1ccccc1
Systematic name  (3)：
  • 3,7,13,17-テトラメチル-2,8,12,18-テトラエチル-5,15-ビス[2-(ベンゾイルアミノ)フェニル]-21H,23H-ポルフィリン
  • N-{2-[12-(2-ベンズアミドフェニル)-5,9,15,19-テトラエチル-4,10,14,20-テトラメチル-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]フェニル}ベンズアミド
  • N-{2-[12-(2-benzamidophenyl)-5,9,15,19-tetraethyl-4,10,14,20-tetramethyl-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]phenyl}benzamide
Other name (1)：
  • 3,7,13,17-Tetramethyl-2,8,12,18-tetraethyl-5,15-bis[2-(benzoylamino)phenyl]-21H,23H-porphyrin
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