Chem
J-GLOBAL ID：201007015648045202   Nikkaji number：J2.833.793K

5,10,15,20-Tetrakis[3,4,5-tris(pentyloxy)phenyl]-21H,23H-porphyrin

5,10,15,20-テトラキス[3,4,5-トリス(ペンチルオキシ)フェニル]-21H,23H-ポルフィリン
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： C104H150N4O12
Molecular formula furigana： C104-H150-N4-O12
Molecular weight： 1648.360
InChI： InChI=1S/C104H150N4O12/c1-13-25-37-57-109-89-69-77(70-90(110-58-38-26-14-2)101(89)117-65-45-33-21-9)97-81-49-51-83(105-81)98(78-71-91(111-59-39-27-15-3)102(118-66-46-34-22-10)92(72-78)112-60-40-28-16-4)85-53-55-87(107-85)100(80-75-95(115-63-43-31-19-7)104(120-68-48-36-24-12)96(76-80)116-64-44-32-20-8)88-56-54-86(108-88)99(84-52-50-82(97)106-84)79-73-93(113-61-41-29-17-5)103(119-67-47-35-23-11)94(74-79)114-62-42-30-18-6/h49-56,69-76,105,108H,13-48,57-68H2,1-12H3/b97-81-,97-82-,98-83-,98-85-,99-84-,99-86-,100-87-,100-88-
InChI key： SJQSGXLETGVKFU-KHCCICJQSA-N
SMILES： CCCCCOc1cc(cc(OCCCCC)c1OCCCCC)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1cc(OCCCCC)c(OCCCCC)c(OCCCCC)c1)[nH]4)/c1cc(OCCCCC)c(OCCCCC)c(OCCCCC)c1)/C=C3)\c1cc(OCCCCC)c(OCCCCC)c(OCCCCC)c1)/[nH]2
Systematic name  (3)：
  • 5,10,15,20-テトラキス[3,4,5-トリス(ペンチルオキシ)フェニル]-21H,23H-ポルフィリン
  • 2,7,12,17-テトラキス[3,4,5-トリス(ペンチルオキシ)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
  • 2,7,12,17-tetrakis[3,4,5-tris(pentyloxy)phenyl]-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-undecaene
Other name (1)：
  • 5,10,15,20-Tetrakis[3,4,5-tris(pentyloxy)phenyl]-21H,23H-porphyrin
Thsaurus map：
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