Chem
J-GLOBAL ID：201507005897329174   Nikkaji number：J3.424.650E

5,15,20-Tri(1-naphthyl)-10-[4-[3-(butoxycarbonyl)propoxy]phenyl]-21H,23H-porphyrin

5,15,20-トリ(1-ナフチル)-10-[4-[3-(ブトキシカルボニル)プロポキシ]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： C64H50N4O3
Molecular formula furigana： C64-H50-N4-O3
Molecular weight： 923.129
InChI： InChI=1S/C64H50N4O3/c1-2-3-39-71-60(69)26-13-40-70-45-29-27-44(28-30-45)61-52-31-33-54(65-52)62(49-23-10-17-41-14-4-7-20-46(41)49)56-35-37-58(67-56)64(51-25-12-19-43-16-6-9-22-48(43)51)59-38-36-57(68-59)63(55-34-32-53(61)66-55)50-24-11-18-42-15-5-8-21-47(42)50/h4-12,14-25,27-38,65,68H,2-3,13,26,39-40H2,1H3/b61-52-,61-53-,62-54-,62-56-,63-55-,63-57-,64-58-,64-59-
InChI key： SBTJZVOBNZZUNW-ZZMSYOOESA-N
SMILES： CCCCOC(=O)CCCOc1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1cccc5ccccc15)[nH]4)/c1cccc4ccccc14)/C=C3)\c1cccc3ccccc13)/[nH]2
Systematic name  (3)：
  • 5,15,20-トリ(1-ナフチル)-10-[4-[3-(ブトキシカルボニル)プロポキシ]フェニル]-21H,23H-ポルフィリン
  • ブチル 4-{4-[7,12,17-トリス(ナフタレン-1-イル)-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]フェノキシ}ブタノアート
  • butyl 4-{4-[7,12,17-tris(naphthalen-1-yl)-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]phenoxy}butanoate
Other name (1)：
  • 5,15,20-Tri(1-naphthyl)-10-[4-[3-(butoxycarbonyl)propoxy]phenyl]-21H,23H-porphyrin
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