Chem
J-GLOBAL ID：200907070688168056   Nikkaji number：J1.364.779H

22,23,122,123,72,73,172,173-Octakis(octyloxy)-21H,23H-tetrabenzo[b,g,l,q]porphyrin

22,23,122,123,72,73,172,173-オクタキス(オクチルオキシ)-21H,23H-テトラベンゾ[b,g,l,q]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： C100H150N4O8
Molecular formula furigana： C100-H150-N4-O8
Molecular weight： 1536.320
InChI： InChI=1S/C100H150N4O8/c1-9-17-25-33-41-49-57-105-93-65-77-78(66-94(93)106-58-50-42-34-26-18-10-2)86-74-88-81-69-97(109-61-53-45-37-29-21-13-5)98(110-62-54-46-38-30-22-14-6)70-82(81)90(103-88)76-92-84-72-100(112-64-56-48-40-32-24-16-8)99(111-63-55-47-39-31-23-15-7)71-83(84)91(104-92)75-89-80-68-96(108-60-52-44-36-28-20-12-4)95(107-59-51-43-35-27-19-11-3)67-79(80)87(102-89)73-85(77)101-86/h65-76,101,104H,9-64H2,1-8H3/b85-73-,86-74-,87-73-,88-74-,89-75-,90-76-,91-75-,92-76-
InChI key： LNSLFJCSSHXXFE-BRVSXGOFSA-N
SMILES： CCCCCCCCOc1cc2C3=N/C(=C\c4[nH]c(/C=C/5\N=C(/C=c/6\[nH]/c(=C\3)/c3c6cc(OCCCCCCCC)c(OCCCCCCCC)c3)c3c5cc(OCCCCCCCC)c(OCCCCCCCC)c3)c3c4cc(OCCCCCCCC)c(OCCCCCCCC)c3)/c2cc1OCCCCCCCC
Systematic name  (4)：
  • 22,23,72,73,122,123,172,173-オクタキス(オクチルオキシ)-21H,23H-テトラベンゾ[b,g,l,q]ポルフィリン
  • 22,23,122,123,72,73,172,173-オクタキス(オクチルオキシ)-21H,23H-テトラベンゾ[b,g,l,q]ポルフィリン
  • 6,7,15,16,24,25,33,34-オクタキス(オクチルオキシ)-37,38,39,40-テトラアザノナシクロ[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]テトラコンタ-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-ノナデカエン
  • 6,7,15,16,24,25,33,34-octakis(octyloxy)-37,38,39,40-tetraazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
Other name (2)：
  • 22,23,72,73,122,123,172,173-Octakis(octyloxy)-21H,23H-tetrabenzo[b,g,l,q]porphyrin
  • 22,23,122,123,72,73,172,173-Octakis(octyloxy)-21H,23H-tetrabenzo[b,g,l,q]porphyrin
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