Chem
J-GLOBAL ID：200907000366554920   Nikkaji number：J2.518.204I

2,3,7,8,12,13,17,18-Octaethyl-5-(trifluoromethyl)-21H,23H-porphyrin

2,3,7,8,12,13,17,18-オクタエチル-5-(トリフルオロメチル)-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： C37H45F3N4
Molecular formula furigana： C37-H45-F3-N4
Molecular weight： 602.790
InChI： InChI=1S/C37H45F3N4/c1-9-20-22(11-3)30-18-32-24(13-5)26(15-7)35(43-32)34(37(38,39)40)36-27(16-8)25(14-6)33(44-36)19-31-23(12-4)21(10-2)29(42-31)17-28(20)41-30/h17-19,41,44H,9-16H2,1-8H3/b28-17-,29-17-,30-18-,31-19-,32-18-,33-19-,35-34+,36-34+
InChI key： LCZDLABBORGPCO-WMUZRJHQSA-N
SMILES： CCC1=C(CC)/C/2=C/c3[nH]c(c(CC)c3CC)/C(=C/3\N=C(/C=c/4\[nH]/c(=C\C1=N2)/c(CC)c4CC)C(=C3CC)CC)/C(F)(F)F
Systematic name  (5)：
  • 2,3,7,8,12,13,17,18-オクタエチル-5-(トリフルオロメチル)-21H,23H-ポルフィリン
  • 5-(トリフルオロメチル)-2,3,7,8,12,13,17,18-オクタエチル-21H,23H-ポルフィリン
  • 2-トリフルオロメチル-4,5,9,10,14,15,19,20-オクタエチル-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサン-1(20),2,4,6(24),7,9,11,13(22),14,16,18-ウンデカエン
  • 4,5,9,10,14,15,19,20-オクタエチル-2-(トリフルオロメチル)-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
  • 4,5,9,10,14,15,19,20-octaethyl-2-(trifluoromethyl)-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 (3)：
  • 2,3,7,8,12,13,17,18-Octaethyl-5-(trifluoromethyl)-21H,23H-porphyrin
  • 5-(Trifluoromethyl)-2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphyrin
  • 2-Trifluoromethyl-4,5,9,10,14,15,19,20-octaethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosane-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaene
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