Chem
J-GLOBAL ID：200907094328018653   Nikkaji number：J1.068.127H

3,7,13,17-Tetramethyl-2,8,12,18-tetraethyl-5,15-bis[2-(trifluoroacetylamino)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-(トリフルオロアセチルアミノ)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： C48H46F6N6O2
Molecular formula furigana： C48-H46-F6-N6-O2
Molecular weight： 852.926
InChI： InChI=1S/C48H46F6N6O2/c1-9-27-23(5)41-39(31-17-13-15-19-33(31)59-45(61)47(49,50)51)42-25(7)29(11-3)37(57-42)22-38-30(12-4)26(8)44(58-38)40(32-18-14-16-20-34(32)60-46(62)48(52,53)54)43-24(6)28(10-2)36(56-43)21-35(27)55-41/h13-22,55,58H,9-12H2,1-8H3,(H,59,61)(H,60,62)/b35-21-,36-21-,37-22-,38-22-,41-39-,42-39-,43-40-,44-40-
InChI key： CTVSCSAPLKUAQD-SVOHXFSLSA-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)C(F)(F)F)/c(C)c3CC)C(=C1C)CC)/c1ccccc1NC(=O)C(F)(F)F
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-(トリフルオロアセチルアミノ)フェニル]-21H,23H-ポルフィリン
  • 2,2,2-トリフルオロ-N-(2-{5,9,15,19-テトラエチル-4,10,14,20-テトラメチル-12-[2-(2,2,2-トリフルオロアセトアミド)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}フェニル)アセトアミド
  • 2,2,2-trifluoro-N-(2-{5,9,15,19-tetraethyl-4,10,14,20-tetramethyl-12-[2-(2,2,2-trifluoroacetamido)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}phenyl)acetamide
Other name (1)：
  • 3,7,13,17-Tetramethyl-2,8,12,18-tetraethyl-5,15-bis[2-(trifluoroacetylamino)phenyl]-21H,23H-porphyrin
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