Chem
J-GLOBAL ID：200907014819095931
Nikkaji number：J1.184.694G
5,5′-[Dithiobis[(1,3-propanediyl)carbonylimino(p-phenylene)]]bis[10,15,20-tris(p-methylphenyl)-21H,23H-porphyrin]
5,5′-[ジチオビス[(1,3-プロパンジイル)カルボニルイミノ(p-フェニレン)]]ビス[10,15,20-トリス(p-メチルフェニル)-21H,23H-ポルフィリン]
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： C102H84N10O2S2
Molecular formula furigana： C102-H84-N10-O2-S2
Molecular weight： 1545.980
InChI：
InChI=1S/C102H84N10O2S2/c1-61-11-23-67(24-12-61)95-77-43-47-81(105-77)97(69-27-15-63(3)16-28-69)85-51-55-89(109-85)101(90-56-52-86(110-90)98(82-48-44-78(95)106-82)70-29-17-64(4)18-30-70)73-35-39-75(40-36-73)103-93(113)9-7-59-115-116-60-8-10-94(114)104-76-41-37-74(38-42-76)102-91-57-53-87(111-91)99(71-31-19-65(5)20-32-71)83-49-45-79(107-83)96(68-25-13-62(2)14-26-68)80-46-50-84(108-80)100(88-54-58-92(102)112-88)72-33-21-66(6)22-34-72/h11-58,105,107,110,112H,7-10,59-60H2,1-6H3,(H,103,113)(H,104,114)/b95-77-,95-78-,96-79-,96-80-,97-81-,97-85-,98-82-,98-86-,99-83-,99-87-,100-84-,100-88-,101-89-,101-90-,102-91-,102-92-
InChI key：
NMQDVQUQQHAXJO-XFUBEFOKSA-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(NC(=O)CCCSSCCCC(=O)Nc4ccc(cc4)/C/4=c/5\cc/c(=C(/C6=N/C(=C(\c7ccc(/C(=C\8/C=CC4=N8)/c4ccc(C)cc4)[nH]7)/c4ccc(C)cc4)/C=C6)\c4ccc(C)cc4)/[nH]5)cc1)/C=C3)\c1ccc(C)cc1)/[nH]2
Systematic name (3)：
- 5,5′-[ジチオビス[(1,3-プロパンジイル)カルボニルイミノ(p-フェニレン)]]ビス[10,15,20-トリス(p-メチルフェニル)-21H,23H-ポルフィリン]
- 4-{[3-({4-[7,12,17-トリス(4-メチルフェニル)-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1,3(24),4,6,8,10,12,14,16(22),17,19-ウンデカエン-2-イル]フェニル}カルバモイル)プロピル]ジスルファニル}-N-{4-[7,12,17-トリス(4-メチルフェニル)-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1,3,5,7,9,11(23),12,14,16,18(21),19-ウンデカエン-2-イル]フェニル}ブタンアミド
- 4-{[3-({4-[7,12,17-tris(4-methylphenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]phenyl}carbamoyl)propyl]disulfanyl}-N-{4-[7,12,17-tris(4-methylphenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-yl]phenyl}butanamide
- 5,5′-[Dithiobis[(1,3-propanediyl)carbonylimino(p-phenylene)]]bis[10,15,20-tris(p-methylphenyl)-21H,23H-porphyrin]
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