Chem
J-GLOBAL ID：200907042038508789   Nikkaji number：J1.614.898I

N,N′-[Dithiobis(1,12-dodecanediyl)]bis[4-[5,10,15-tris(pentafluorophenyl)-21H,23H-porphyrin-20-yl]benzamide]

N,N′-[ジチオビス(1,12-ドデカンジイル)]ビス[4-[5,10,15-トリス(ペンタフルオロフェニル)-21H,23H-ポルフィリン-20-イル]ベンズアミド]
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： C114H78F30N10O2S2
Molecular formula furigana： C114-H78-F30-N10-O2-S2
Molecular weight： 2254.020
InChI： InChI=1S/C114H78F30N10O2S2/c115-83-77(84(116)96(128)107(139)95(83)127)71-57-33-29-53(147-57)69(54-30-34-58(148-54)72(78-85(117)97(129)108(140)98(130)86(78)118)62-38-42-66(152-62)75(65-41-37-61(71)151-65)81-91(123)103(135)111(143)104(136)92(81)124)49-21-25-51(26-22-49)113(155)145-45-17-13-9-5-1-3-7-11-15-19-47-157-158-48-20-16-12-8-4-2-6-10-14-18-46-146-114(156)52-27-23-50(24-28-52)70-55-31-35-59(149-55)73(79-87(119)99(131)109(141)100(132)88(79)120)63-39-43-67(153-63)76(82-93(125)105(137)112(144)106(138)94(82)126)68-44-40-64(154-68)74(60-36-32-56(70)150-60)80-89(121)101(133)110(142)102(134)90(80)122/h21-44,147,149,152,154H,1-20,45-48H2,(H,145,155)(H,146,156)/b69-53-,69-54-,70-55-,70-56-,71-57+,71-61+,72-58+,72-62+,73-59+,73-63+,74-60+,74-64+,75-65+,75-66+,76-67+,76-68+
InChI key： IGRHBYXNCJBRAK-OJXKVAFXSA-N
SMILES： Fc1c(F)c(F)c(c(F)c1F)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccc(cc1)C(=O)NCCCCCCCCCCCCSSCCCCCCCCCCCCNC(=O)c1ccc(cc1)/C/1=c/5\cc/c(=C(/C6=N/C(=C(\c7ccc(/C(=C\8/C=CC1=N8)/c1c(F)c(F)c(F)c(F)c1F)[nH]7)/c1c(F)c(F)c(F)c(F)c1F)/C=C6)\c1c(F)c(F)c(F)c(F)c1F)/[nH]5)[nH]4)/c1c(F)c(F)c(F)c(F)c1F)/C=C3)\c1c(F)c(F)c(F)c(F)c1F)/[nH]2
Systematic name  (3)：
  • N,N′-[ジチオビス(ドデカン-1,12-ジイル)]ビス[4-[10,15,20-トリス(ペンタフルオロフェニル)-21H,23H-ポルフィリン-5-イル]ベンズアミド]
  • 20,20′-[ジチオビス[1,12-ドデカンジイルイミノカルボニル(1,4-フェニレン)]]ビス[5,10,15-トリス(ペンタフルオロフェニル)-21H,23H-ポルフィリン]
  • N,N′-[ジチオビス(1,12-ドデカンジイル)]ビス[4-[5,10,15-トリス(ペンタフルオロフェニル)-21H,23H-ポルフィリン-20-イル]ベンズアミド]
Other name (3)：
  • N,N′-[Dithiobis(dodecane-1,12-diyl)]bis[4-[10,15,20-tris(pentafluorophenyl)-21H,23H-porphyrin-5-yl]benzamide]
  • 20,20′-[Dithiobis[1,12-dodecanediyliminocarbonyl(1,4-phenylene)]]bis[5,10,15-tris(pentafluorophenyl)-21H,23H-porphyrin]
  • N,N′-[Dithiobis(1,12-dodecanediyl)]bis[4-[5,10,15-tris(pentafluorophenyl)-21H,23H-porphyrin-20-yl]benzamide]
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