Chem
J-GLOBAL ID：200907001482085977   Nikkaji number：J1.639.424F

3,3′,3′′,3′′′-(21H,23H-Porphyrin-5,10,15,20-tetryl)tetrakis(2,4-difluorophenol)

3,3′,3′′,3′′′-(21H,23H-ポルフィリン-5,10,15,20-テトライル)テトラキス(2,4-ジフルオロフェノール)
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： C44H22F8N4O4
Molecular formula furigana： C44-H22-F8-N4-O4
Molecular weight： 822.671
InChI： InChI=1S/C44H22F8N4O4/c45-17-1-13-29(57)41(49)33(17)37-21-5-7-23(53-21)38(34-18(46)2-14-30(58)42(34)50)25-9-11-27(55-25)40(36-20(48)4-16-32(60)44(36)52)28-12-10-26(56-28)39(24-8-6-22(37)54-24)35-19(47)3-15-31(59)43(35)51/h1-16,53,56-60H/b37-21+,37-22+,38-23+,38-25+,39-24+,39-26+,40-27+,40-28+
InChI key： RDYLYJXCBLNMAL-GZNZDWAPSA-N
SMILES： Oc1ccc(F)c(c1F)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1c(F)ccc(O)c1F)[nH]4)/c1c(F)ccc(O)c1F)/C=C3)\c1c(F)ccc(O)c1F)/[nH]2
Systematic name  (3)：
  • 3,3′,3′′,3′′′-(21H,23H-ポルフィリン-5,10,15,20-テトライル)テトラキス(2,4-ジフルオロフェノール)
  • 2,4-ジフルオロ-3-[7,12,17-トリス(2,6-ジフルオロ-3-ヒドロキシフェニル)-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(24),4,6,8,10,12,14,16(22),17,19-ウンデカエン-2-イル]フェノール
  • 2,4-difluoro-3-[7,12,17-tris(2,6-difluoro-3-hydroxyphenyl)-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]phenol
Other name (1)：
  • 3,3′,3′′,3′′′-(21H,23H-Porphyrin-5,10,15,20-tetryl)tetrakis(2,4-difluorophenol)
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