Chem
J-GLOBAL ID：200907002533171098   Nikkaji number：J1.943.610A

22,23,72,73,122,123-Hexa(octyloxy)-17,18-di(4-tert-butylphenyl)-5,10,15,20-tetraaza-21H,23H-tribenzo[b,g,l]porphyrin

22,23,72,73,122,123-ヘキサ(オクチルオキシ)-17,18-ジ(4-tert-ブチルフェニル)-5,10,15,20-テトラアザ-21H,23H-トリベンゾ[b,g,l]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： C96H136N8O6
Molecular formula furigana： C96-H136-N8-O6
Molecular weight： 1498.194
InChI： InChI=1S/C96H136N8O6/c1-13-19-25-31-37-43-57-105-79-63-73-74(64-80(79)106-58-44-38-32-26-20-14-2)88-97-87(73)98-89-75-65-81(107-59-45-39-33-27-21-15-3)83(109-61-47-41-35-29-23-17-5)67-77(75)91(100-89)102-93-85(69-49-53-71(54-50-69)95(7,8)9)86(70-51-55-72(56-52-70)96(10,11)12)94(104-93)103-92-78-68-84(110-62-48-42-36-30-24-18-6)82(66-76(78)90(99-88)101-92)108-60-46-40-34-28-22-16-4/h49-56,63-68H,13-48,57-62H2,1-12H3,(H2,97,98,99,100,101,102,103,104)
InChI key： SPYFVCZZVXAPLZ-UHFFFAOYSA-N
SMILES： CCCCCCCCOc1cc2/C/3=N/c4[nH]c(/N=C/5\N=C(/N=c/6\[nH]/c(=N\C(=N3)c2cc1OCCCCCCCC)/c1c6cc(OCCCCCCCC)c(OCCCCCCCC)c1)C(=C5c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C)c1c4cc(OCCCCCCCC)c(OCCCCCCCC)c1
Systematic name  (4)：
  • 22,23,72,73,122,123-ヘキサ(オクチルオキシ)-17,18-ジ(4-tert-ブチルフェニル)-5,10,15,20-テトラアザ-21H,23H-トリベンゾ[b,g,l]ポルフィリン
  • 2,3:7,8:12,13-トリス[1,3]ブタジエノ-17,18-ビス(4-tert-ブチルフェニル)-26,27,30,31,34,35-ヘキサキス(オクチルオキシ)-5,10,15,20-テトラアザ-21H,23H-ポルフィリン
  • 22,23-ビス(4-tert-ブチルフェニル)-6,7,15,16,29,30-ヘキサキス(オクチルオキシ)-2,11,20,25,33,34,35,36-オクタアザオクタシクロ[24.6.1.13,10.112,19.121,24.04,9.013,18.027,32]ヘキサトリアコンタ-1,3(36),4,6,8,10,12,14,16,18,20,22,24(34),25,27,29,31-ヘプタデカエン
  • 22,23-bis(4-tert-butylphenyl)-6,7,15,16,29,30-hexakis(octyloxy)-2,11,20,25,33,34,35,36-octaazaoctacyclo[24.6.1.13,10.112,19.121,24.04,9.013,18.027,32]hexatriaconta-1,3(36),4,6,8,10,12,14,16,18,20,22,24(34),25,27,29,31-heptadecaene
Other name (2)：
  • 22,23,72,73,122,123-Hexa(octyloxy)-17,18-di(4-tert-butylphenyl)-5,10,15,20-tetraaza-21H,23H-tribenzo[b,g,l]porphyrin
  • 2,3:7,8:12,13-Tris[1,3]butadieno-17,18-bis(4-tert-butylphenyl)-26,27,30,31,34,35-hexakis(octyloxy)-5,10,15,20-tetraaza-21H,23H-porphyrin
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