Chem
J-GLOBAL ID：200907087252478300
Nikkaji number：J1.614.901B
N,N′-(Dithiobisethylene)bis[4-[10,15,20-tris(pentafluorophenyl)-21H,23H-porphyrin-5-yl]benzamide]
N,N′-(ジチオビスエチレン)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]
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
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
Molecular formula： C94H38F30N10O2S2
Molecular formula furigana： C94-H38-F30-N10-O2-S2
Molecular weight： 1973.480
InChI：
InChI=1S/C94H38F30N10O2S2/c95-63-57(64(96)76(108)87(119)75(63)107)51-37-13-9-33(127-37)49(34-10-14-38(128-34)52(58-65(97)77(109)88(120)78(110)66(58)98)42-18-22-46(132-42)55(45-21-17-41(51)131-45)61-71(103)83(115)91(123)84(116)72(61)104)29-1-5-31(6-2-29)93(135)125-25-27-137-138-28-26-126-94(136)32-7-3-30(4-8-32)50-35-11-15-39(129-35)53(59-67(99)79(111)89(121)80(112)68(59)100)43-19-23-47(133-43)56(62-73(105)85(117)92(124)86(118)74(62)106)48-24-20-44(134-48)54(40-16-12-36(50)130-40)60-69(101)81(113)90(122)82(114)70(60)102/h1-24,127,129,132,134H,25-28H2,(H,125,135)(H,126,136)/b49-33-,49-34-,50-35-,50-36-,51-37+,51-41+,52-38+,52-42+,53-39+,53-43+,54-40+,54-44+,55-45+,55-46+,56-47+,56-48+
InChI key：
ICJKRCOZULLRCG-QOKPVZKESA-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)NCCSSCCNC(=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′-(ジチオビスエチレン)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[エチレンイミノカルボニル(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′-(ジチオビスエチレン)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]
- N,N′-(Dithiobisethylene)bis[4-[10,15,20-tris(pentafluorophenyl)-21H,23H-porphyrin-5-yl]benzamide]
- 20,20′-[Dithiobis[ethyleneiminocarbonyl(1,4-phenylene)]]bis[5,10,15-tris(pentafluorophenyl)-21H,23H-porphyrin]
- N,N′-(Dithiobisethylene)bis[4-[5,10,15-tris(pentafluorophenyl)-21H,23H-porphyrin-20-yl]benzamide]
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