Chem
J-GLOBAL ID：200907015026831021
Nikkaji number：J1.614.900D
N,N′-[Dithiobis(1,12-dodecanediyl)]bis[4-[5,10,15-tris(2,6-dichlorophenyl)-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(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]
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： C114H96Cl12N10O2S2
Molecular formula furigana： C114-H96-CL12-N10-O2-S2
Molecular weight： 2127.610
InChI：
InChI=1S/C114H96Cl12N10O2S2/c115-71-27-21-28-72(116)101(71)107-87-51-47-83(129-87)99(84-48-52-88(130-84)108(102-73(117)29-22-30-74(102)118)92-56-60-96(134-92)111(95-59-55-91(107)133-95)105-79(123)35-25-36-80(105)124)67-39-43-69(44-40-67)113(137)127-63-17-13-9-5-1-3-7-11-15-19-65-139-140-66-20-16-12-8-4-2-6-10-14-18-64-128-114(138)70-45-41-68(42-46-70)100-85-49-53-89(131-85)109(103-75(119)31-23-32-76(103)120)93-57-61-97(135-93)112(106-81(125)37-26-38-82(106)126)98-62-58-94(136-98)110(90-54-50-86(100)132-90)104-77(121)33-24-34-78(104)122/h21-62,129,131,134,136H,1-20,63-66H2,(H,127,137)(H,128,138)/b99-83-,99-84-,100-85-,100-86-,107-87+,107-91+,108-88+,108-92+,109-89+,109-93+,110-90+,110-94+,111-95+,111-96+,112-97+,112-98+
InChI key：
WKKZIWDRTNHQBI-HMOJWEPYSA-N
SMILES：
Clc1cccc(Cl)c1/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccc(cc1)C(=O)NCCCCCCCCCCCCSSCCCCCCCCCCCCNC(=O)c1ccc(cc1)/C/1=c/5\cc/c(=C(/C6=N/C(=C(\c7ccc(/C(=C\8/C=CC1=N8)/c1c(Cl)cccc1Cl)[nH]7)/c1c(Cl)cccc1Cl)/C=C6)\c1c(Cl)cccc1Cl)/[nH]5)[nH]4)/c1c(Cl)cccc1Cl)/C=C3)\c1c(Cl)cccc1Cl)/[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(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[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(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(1,12-ドデカンジイル)]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(dodecane-1,12-diyl)]bis[4-[10,15,20-tris(2,6-dichlorophenyl)-21H,23H-porphyrin-5-yl]benzamide]
- 20,20′-[Dithiobis[1,12-dodecanediyliminocarbonyl(1,4-phenylene)]]bis[5,10,15-tris(2,6-dichlorophenyl)-21H,23H-porphyrin]
- N,N′-[Dithiobis(1,12-dodecanediyl)]bis[4-[5,10,15-tris(2,6-dichlorophenyl)-21H,23H-porphyrin-20-yl]benzamide]
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