Chem
J-GLOBAL ID：200907017442567646
Nikkaji number：J1.614.904G
N,N′-[Dithiobis(hexamethylene)]bis[4-[5,10,15-tris(p-tolyl)-21H,23H-porphyrin-20-yl]benzamide]
N,N′-[ジチオビス(ヘキサメチレン)]ビス[4-[5,10,15-トリス(p-トリル)-21H,23H-ポルフィリン-20-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： C108H96N10O2S2
Molecular formula furigana： C108-H96-N10-O2-S2
Molecular weight： 1630.140
InChI：
InChI=1S/C108H96N10O2S2/c1-67-15-27-73(28-16-67)99-83-47-51-87(111-83)101(75-31-19-69(3)20-32-75)91-55-59-95(115-91)105(96-60-56-92(116-96)102(88-52-48-84(99)112-88)76-33-21-70(4)22-34-76)79-39-43-81(44-40-79)107(119)109-63-11-7-9-13-65-121-122-66-14-10-8-12-64-110-108(120)82-45-41-80(42-46-82)106-97-61-57-93(117-97)103(77-35-23-71(5)24-36-77)89-53-49-85(113-89)100(74-29-17-68(2)18-30-74)86-50-54-90(114-86)104(94-58-62-98(106)118-94)78-37-25-72(6)26-38-78/h15-62,111,113,116,118H,7-14,63-66H2,1-6H3,(H,109,119)(H,110,120)/b99-83-,99-84-,100-85-,100-86-,101-87-,101-91-,102-88-,102-92-,103-89-,103-93-,104-90-,104-94-,105-95-,105-96-,106-97-,106-98-
InChI key：
OTKODJZCKMWGQO-YZVDOJMOSA-N
SMILES：
Cc1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccc(C)cc1)[nH]4)/c1ccc(cc1)C(=O)NCCCCCCSSCCCCCCNC(=O)c1ccc(cc1)/C/1=c/4\cc/c(=C(/C5=N/C(=C(\c6ccc(/C(=C\7/C=CC1=N7)/c1ccc(C)cc1)[nH]6)/c1ccc(C)cc1)/C=C5)\c1ccc(C)cc1)/[nH]4)/C=C3)\c1ccc(C)cc1)/[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(4-メチルフェニル)-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(4-メチルフェニル)-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(p-トリル)-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(4-methylphenyl)-21H,23H-porphyrin-5-yl]benzamide]
- N,N′-[Dithiobis(hexane-1,6-diyl)]bis[4-[10,15,20-tris(4-methylphenyl)-21H,23H-porphyrin-5-yl]benzamide]
- N,N′-[Dithiobis(hexamethylene)]bis[4-[5,10,15-tris(p-tolyl)-21H,23H-porphyrin-20-yl]benzamide]
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