Chem
J-GLOBAL ID：200907079393845479
Nikkaji number：J1.614.905E
N,N′-[Dithiobis(1,12-dodecanediyl)]bis[4-[5,10,15-tris(p-tolyl)-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(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： C120H120N10O2S2
Molecular formula furigana： C120-H120-N10-O2-S2
Molecular weight： 1798.470
InChI：
InChI=1S/C120H120N10O2S2/c1-79-27-39-85(40-28-79)111-95-59-63-99(123-95)113(87-43-31-81(3)32-44-87)103-67-71-107(127-103)117(108-72-68-104(128-108)114(100-64-60-96(111)124-100)88-45-33-82(4)34-46-88)91-51-55-93(56-52-91)119(131)121-75-23-19-15-11-7-9-13-17-21-25-77-133-134-78-26-22-18-14-10-8-12-16-20-24-76-122-120(132)94-57-53-92(54-58-94)118-109-73-69-105(129-109)115(89-47-35-83(5)36-48-89)101-65-61-97(125-101)112(86-41-29-80(2)30-42-86)98-62-66-102(126-98)116(106-70-74-110(118)130-106)90-49-37-84(6)38-50-90/h27-74,123,125,128,130H,7-26,75-78H2,1-6H3,(H,121,131)(H,122,132)/b111-95-,111-96-,112-97-,112-98-,113-99-,113-103-,114-100-,114-104-,115-101-,115-105-,116-102-,116-106-,117-107-,117-108-,118-109-,118-110-
InChI key：
IPUAHBRTZFXPFW-DUMVAMCISA-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)NCCCCCCCCCCCCSSCCCCCCCCCCCCNC(=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(ドデカン-1,12-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]
- 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(4-メチルフェニル)-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(p-トリル)-21H,23H-ポルフィリン-20-イル]ベンズアミド]
- N,N′-[Dithiobis(dodecane-1,12-diyl)]bis[4-[10,15,20-tris(4-methylphenyl)-21H,23H-porphyrin-5-yl]benzamide]
- 20,20′-[Dithiobis[1,12-dodecanediyliminocarbonyl(1,4-phenylene)]]bis[5,10,15-tris(4-methylphenyl)-21H,23H-porphyrin]
- N,N′-[Dithiobis(1,12-dodecanediyl)]bis[4-[5,10,15-tris(p-tolyl)-21H,23H-porphyrin-20-yl]benzamide]
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