Chem
J-GLOBAL ID：200907064837802855
Nikkaji number：J1.614.897K
N,N′-(Dithiobishexamethylene)bis[4-[10,15,20-tris(pentafluorophenyl)-21H,23H-porphyrin-5-yl]benzamide]
N,N′-(ジチオビスヘキサメチレン)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： C102H54F30N10O2S2
Molecular formula furigana： C102-H54-F30-N10-O2-S2
Molecular weight： 2085.690
InChI：
InChI=1S/C102H54F30N10O2S2/c103-71-65(72(104)84(116)95(127)83(71)115)59-45-21-17-41(135-45)57(42-18-22-46(136-42)60(66-73(105)85(117)96(128)86(118)74(66)106)50-26-30-54(140-50)63(53-29-25-49(59)139-53)69-79(111)91(123)99(131)92(124)80(69)112)37-9-13-39(14-10-37)101(143)133-33-5-1-3-7-35-145-146-36-8-4-2-6-34-134-102(144)40-15-11-38(12-16-40)58-43-19-23-47(137-43)61(67-75(107)87(119)97(129)88(120)76(67)108)51-27-31-55(141-51)64(70-81(113)93(125)100(132)94(126)82(70)114)56-32-28-52(142-56)62(48-24-20-44(58)138-48)68-77(109)89(121)98(130)90(122)78(68)110/h9-32,135,137,140,142H,1-8,33-36H2,(H,133,143)(H,134,144)/b57-41-,57-42-,58-43-,58-44-,59-45+,59-49+,60-46+,60-50+,61-47+,61-51+,62-48+,62-52+,63-53+,63-54+,64-55+,64-56+
InChI key：
PZQFFWCJWYFFEX-VXMGLANUSA-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)/c1c(F)c(F)c(F)c(F)c1F)[nH]4)/c1c(F)c(F)c(F)c(F)c1F)/C=C3)\c1ccc(cc1)C(=O)NCCCCCCSSCCCCCCNC(=O)c1ccc(cc1)/C/1=c/3\cc/c(=C(/C4=N/C(=C(\c5ccc(/C(=C\6/C=CC1=N6)/c1c(F)c(F)c(F)c(F)c1F)[nH]5)/c1c(F)c(F)c(F)c(F)c1F)/C=C4)\c1c(F)c(F)c(F)c(F)c1F)/[nH]3)/[nH]2
Systematic name (3)：
- N,N′-(ジチオビスヘキサメチレン)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]
- N,N′-[ジチオビス(ヘキサン-1,6-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]
- N,N′-[ジチオビス(ヘキサメチレン)]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′-(Dithiobishexamethylene)bis[4-[10,15,20-tris(pentafluorophenyl)-21H,23H-porphyrin-5-yl]benzamide]
- N,N′-[Dithiobis(hexane-1,6-diyl)]bis[4-[10,15,20-tris(pentafluorophenyl)-21H,23H-porphyrin-5-yl]benzamide]
- N,N′-[Dithiobis(hexamethylene)]bis[4-[5,10,15-tris(pentafluorophenyl)-21H,23H-porphyrin-20-yl]benzamide]
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