Chem
J-GLOBAL ID：200907083263876981
Nikkaji number：J1.269.323K
N,N′-(Dithiobisethylene)bis[4-[10,15,20-tris(2,6-dichlorophenyl)-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(2,6-ジクロロフェニル)-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： C94H56Cl12N10O2S2
Molecular formula furigana： C94-H56-CL12-N10-O2-S2
Molecular weight： 1847.070
InChI：
InChI=1S/C94H56Cl12N10O2S2/c95-51-7-1-8-52(96)81(51)87-67-31-27-63(109-67)79(64-28-32-68(110-64)88(82-53(97)9-2-10-54(82)98)72-36-40-76(114-72)91(75-39-35-71(87)113-75)85-59(103)15-5-16-60(85)104)47-19-23-49(24-20-47)93(117)107-43-45-119-120-46-44-108-94(118)50-25-21-48(22-26-50)80-65-29-33-69(111-65)89(83-55(99)11-3-12-56(83)100)73-37-41-77(115-73)92(86-61(105)17-6-18-62(86)106)78-42-38-74(116-78)90(70-34-30-66(80)112-70)84-57(101)13-4-14-58(84)102/h1-42,109,111,114,116H,43-46H2,(H,107,117)(H,108,118)/b79-63-,79-64-,80-65-,80-66-,87-67+,87-71+,88-68+,88-72+,89-69+,89-73+,90-70+,90-74+,91-75+,91-76+,92-77+,92-78+
InChI key：
GAIMMIIHPOCWHL-AUDXGVPISA-N
SMILES：
Clc1cccc(Cl)c1/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1c(Cl)cccc1Cl)[nH]4)/c1c(Cl)cccc1Cl)/C=C3)\c1ccc(cc1)C(=O)NCCSSCCNC(=O)c1ccc(cc1)/C/1=c/3\cc/c(=C(/C4=N/C(=C(\c5ccc(/C(=C\6/C=CC1=N6)/c1c(Cl)cccc1Cl)[nH]5)/c1c(Cl)cccc1Cl)/C=C4)\c1c(Cl)cccc1Cl)/[nH]3)/[nH]2
Systematic name (4)：
- N,N′-ジチオビス(エチレン)ビス[4-[10,15,20-トリス(2,6-ジクロロフェニル)-21H,23H-ポルフィリン-5-イル]ベンズアミド]
- N,N′-(ジチオビスエチレン)ビス[4-[10,15,20-トリス(2,6-ジクロロフェニル)-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(2,6-ジクロロフェニル)-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(2,6-ジクロロフェニル)-21H,23H-ポルフィリン-20-イル]ベンズアミド]
- N,N′-Dithiobis(ethylene)bis[4-[10,15,20-tris(2,6-dichlorophenyl)-21H,23H-porphyrin-5-yl]benzamide]
- N,N′-(Dithiobisethylene)bis[4-[10,15,20-tris(2,6-dichlorophenyl)-21H,23H-porphyrin-5-yl]benzamide]
- 20,20′-[Dithiobis[ethyleneiminocarbonyl(1,4-phenylene)]]bis[5,10,15-tris(2,6-dichlorophenyl)-21H,23H-porphyrin]
- N,N′-(Dithiobisethylene)bis[4-[5,10,15-tris(2,6-dichlorophenyl)-21H,23H-porphyrin-20-yl]benzamide]
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