Chem
J-GLOBAL ID：200907030241375419
Nikkaji number：J1.614.899G
N,N′-(Dithiobishexamethylene)bis[4-[10,15,20-tris(2,6-dichlorophenyl)-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(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： C102H72Cl12N10O2S2
Molecular formula furigana： C102-H72-CL12-N10-O2-S2
Molecular weight： 1959.290
InChI：
InChI=1S/C102H72Cl12N10O2S2/c103-59-15-9-16-60(104)89(59)95-75-39-35-71(117-75)87(72-36-40-76(118-72)96(90-61(105)17-10-18-62(90)106)80-44-48-84(122-80)99(83-47-43-79(95)121-83)93-67(111)23-13-24-68(93)112)55-27-31-57(32-28-55)101(125)115-51-5-1-3-7-53-127-128-54-8-4-2-6-52-116-102(126)58-33-29-56(30-34-58)88-73-37-41-77(119-73)97(91-63(107)19-11-20-64(91)108)81-45-49-85(123-81)100(94-69(113)25-14-26-70(94)114)86-50-46-82(124-86)98(78-42-38-74(88)120-78)92-65(109)21-12-22-66(92)110/h9-50,117,119,122,124H,1-8,51-54H2,(H,115,125)(H,116,126)/b87-71-,87-72-,88-73-,88-74-,95-75+,95-79+,96-76+,96-80+,97-77+,97-81+,98-78+,98-82+,99-83+,99-84+,100-85+,100-86+
InChI key：
RJFJUXVKOOOUFL-ZPLZDWFISA-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)NCCCCCCSSCCCCCCNC(=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 (3)：
- N,N′-(ジチオビスヘキサメチレン)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(ヘキサメチレン)]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′-[ジチオビス(ヘキサン-1,6-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]
- N,N′-(Dithiobishexamethylene)bis[4-[10,15,20-tris(2,6-dichlorophenyl)-21H,23H-porphyrin-5-yl]benzamide]
- N,N′-[Dithiobis(hexane-1,6-diyl)]bis[4-[10,15,20-tris(2,6-dichlorophenyl)-21H,23H-porphyrin-5-yl]benzamide]
- N,N′-[Dithiobis(hexamethylene)]bis[4-[5,10,15-tris(2,6-dichlorophenyl)-21H,23H-porphyrin-20-yl]benzamide]
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