Chem
J-GLOBAL ID:200907051038552914   Nikkaji number:J1.240.993A

3,3′,3′′,3′′′-(21H,23H-Porphyrin-5,10,15,20-tetryl)tetrakis(N,N-dioctyl-2,4-dichlorobenzenesulfonamide)

3,3′,3′′,3′′′-(21H,23H-ポルフィリン-5,10,15,20-テトライル)テトラキス(N,N-ジオクチル-2,4-ジクロロベンゼンスルホンアミド)
Substance type:
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
Molecular formula: C108H154Cl8N8O8S4
Molecular formula furigana: C108-H154-CL8-N8-O8-S4
Molecular weight: 2104.310
InChI: InChI=1S/C108H154Cl8N8O8S4/c1-9-17-25-33-41-49-73-121(74-50-42-34-26-18-10-2)133(125,126)93-69-57-81(109)97(105(93)113)101-85-61-63-87(117-85)102(98-82(110)58-70-94(106(98)114)134(127,128)122(75-51-43-35-27-19-11-3)76-52-44-36-28-20-12-4)89-65-67-91(119-89)104(100-84(112)60-72-96(108(100)116)136(131,132)124(79-55-47-39-31-23-15-7)80-56-48-40-32-24-16-8)92-68-66-90(120-92)103(88-64-62-86(101)118-88)99-83(111)59-71-95(107(99)115)135(129,130)123(77-53-45-37-29-21-13-5)78-54-46-38-30-22-14-6/h57-72,117,120H,9-56,73-80H2,1-8H3/b101-85+,101-86+,102-87+,102-89+,103-88+,103-90+,104-91+,104-92+
InChI key: WIURBUGRQZGHTK-SFVPYKMXSA-N
SMILES: CCCCCCCCN(CCCCCCCC)S(=O)(=O)c1ccc(Cl)c(c1Cl)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1c(Cl)ccc(c1Cl)S(=O)(=O)N(CCCCCCCC)CCCCCCCC)[nH]4)/c1c(Cl)ccc(c1Cl)S(=O)(=O)N(CCCCCCCC)CCCCCCCC)/C=C3)\c1c(Cl)ccc(c1Cl)S(=O)(=O)N(CCCCCCCC)CCCCCCCC)/[nH]2
Systematic name  (3):
  • 3,3′,3′′,3′′′-(21H,23H-ポルフィリン-5,10,15,20-テトライル)テトラキス(N,N-ジオクチル-2,4-ジクロロベンゼンスルホンアミド)
  • 2,4-ジクロロ-N,N-ジオクチル-3-{7,12,17-トリス[2,6-ジクロロ-3-(ジオクチルスルファモイル)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}ベンゼン-1-スルホンアミド
  • 2,4-dichloro-N,N-dioctyl-3-{7,12,17-tris[2,6-dichloro-3-(dioctylsulfamoyl)phenyl]-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}benzene-1-sulfonamide
Other name (1):
  • 3,3′,3′′,3′′′-(21H,23H-Porphyrin-5,10,15,20-tetryl)tetrakis(N,N-dioctyl-2,4-dichlorobenzenesulfonamide)
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