Chem
J-GLOBAL ID:200907028043005563   Nikkaji number:J1.054.647H

2,18-Diethyl-3,7,8,12,13,17-hexamethyl-10-(pentafluorophenyl)-21H,23H-porphyrin

2,18-ジエチル-3,7,8,12,13,17-ヘキサメチル-10-(ペンタフルオロフェニル)-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: C36H33F5N4
Molecular formula furigana: C36-H33-F5-N4
Molecular weight: 616.680
InChI: InChI=1S/C36H33F5N4/c1-9-20-18(7)24-11-22-14(3)16(5)35(44-22)29(28-30(37)32(39)34(41)33(40)31(28)38)36-17(6)15(4)23(45-36)12-25-19(8)21(10-2)27(43-25)13-26(20)42-24/h11-13,42,45H,9-10H2,1-8H3/b22-11-,23-12-,24-11-,25-12-,26-13-,27-13-,35-29-,36-29-
InChI key: BCTKJHCDAYJUDJ-AQQILLPESA-N
SMILES: CCC1=C(C)/C/2=C/c3[nH]c(c(C)c3C)/C(=C/3\N=C(/C=c/4\[nH]/c(=C\C1=N2)/c(CC)c4C)C(=C3C)C)/c1c(F)c(F)c(F)c(F)c1F
Systematic name  (3):
  • 2,18-ジエチル-3,7,8,12,13,17-ヘキサメチル-10-(ペンタフルオロフェニル)-21H,23H-ポルフィリン
  • 10,14-ジエチル-4,5,9,15,19,20-ヘキサメチル-2-(2,3,4,5,6-ペンタフルオロフェニル)-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
  • 10,14-diethyl-4,5,9,15,19,20-hexamethyl-2-(2,3,4,5,6-pentafluorophenyl)-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-undecaene
Other name (1):
  • 2,18-Diethyl-3,7,8,12,13,17-hexamethyl-10-(pentafluorophenyl)-21H,23H-porphyrin
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