Chem
J-GLOBAL ID：200907030378527429   Nikkaji number：J1.894.412J

5-[(1,3-Dimethyl-1H-imidazol-3-ium)-2-yl]-15-[4-(octyloxy)phenyl]-21H,23H-porphyrin

5-[(1,3-ジメチル-1H-イミダゾール-3-イウム)-2-イル]-15-[4-(オクチルオキシ)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： C39H41N5[N+]O
Molecular formula furigana： C39-H41-N6-O
Molecular weight： 609.797
InChI： InChI=1S/C39H40N6O/c1-4-5-6-7-8-9-24-46-32-16-10-27(11-17-32)37-33-18-12-28(40-33)25-30-14-20-35(42-30)38(39-44(2)22-23-45(39)3)36-21-15-31(43-36)26-29-13-19-34(37)41-29/h10-23,25-26H,4-9,24H2,1-3H3,(H,40,41,42,43)/p+1
InChI key： LBHAXXTUGVTEKB-UHFFFAOYSA-O
SMILES： CCCCCCCCOc1ccc(cc1)/C/1=c/2\cc/c(=C/C3=N/C(=C(\c4ccc(/C=C\5/C=CC1=N5)[nH]4)/c1n(C)cc[n+]1C)/C=C3)/[nH]2
Systematic name  (3)：
  • 5-[(1,3-ジメチル-1H-イミダゾール-3-イウム)-2-イル]-15-[4-(オクチルオキシ)フェニル]-21H,23H-ポルフィリン
  • 1,3-ジメチル-2-{12-[4-(オクチルオキシ)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-イル}-1H-イミダゾール-3-イウム
  • 1,3-dimethyl-2-{12-[4-(octyloxy)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-undecaen-2-yl}-1H-imidazol-3-ium
Other name (1)：
  • 5-[(1,3-Dimethyl-1H-imidazol-3-ium)-2-yl]-15-[4-(octyloxy)phenyl]-21H,23H-porphyrin
Thsaurus map：
Thesaurus Map

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