121399-88-0
2,3,7,8,12,13,17,18-OCTAFLUORO-5,10,15,20-TETRAKIS(PENTAFLUOROPHENYL)-21H,23H-PORPHYRIN
Name2,3,7,8,12,13,17,18-OCTAFLUORO-5,10,15,20-TETRAKIS(PENTAFLUOROPHENYL)-21H,23H-PORPHYRIN
1Identification
【Name】
2,3,7,8,12,13,17,18-OCTAFLUORO-5,10,15,20-TETRAKIS(PENTAFLUOROPHENYL)-21H,23H-PORPHYRIN
【CAS】
【MDL】
MFCD10000962
【English Synonyms】
2,3,7,8,12,13,17,18-OCTAFLUORO-5,10,15,20-TETRAKIS(PENTAFLUOROPHENYL)PORPHYRIN
2,3,7,8,12,13,17,18-OCTAFLUORO-5,10,15,20-TETRAKIS(PENTAFLUOROPHENYL)-21H,23H-PORPHYRIN
2,3,7,8,12,13,17,18-OCTAFLUORO-5,10,15,20-TETRAKIS(PENTAFLUOROPHENYL)-21H,23H-PORPHINE
【Formula】
C44 H2 F28 N4
【MolWeight】
1118.47
【Inchi】
InChI=1S/C44H2F28N4/c45-9-1(10(46)18(54)25(61)17(9)53)5-37-29(65)31(67)39(73-37)6(2-11(47)19(55)26(62)20(56)12(2)48)41-33(69)35(71)43(75-41)8(4-15(51)23(59)28(64)24(60)16(4)52)44-36(72)34(70)42(76-44)7(40-32(68)30(66)38(5)74-40)3-13(49)21(57)27(63)22(58)14(3)50/h73,76H/b37-5-,38-5-,39-6-,40-7-,41-6-,42-7-,43-8-,44-8-
【InChIKey】
InChIKey=YPQJLILOZYQHNR-RMVKQRBNSA-N
【SMILES】
c1(\c2c(c(c([nH]2)/c(c/3\nc(/c(c\4/c(c(/c(/[nH]4)c(/c5n/c1/C(=C5F)F)\c6c(c(c(c(c6F)F)F)F)F)F)F)/c7c(c(c(c(c7F)F)F)F)F)C(=C3F)F)/c8c(c(c(c(c8F)F)F)F)F)F)F)/c9c(c(c(c(c9F)F)F)F)F
【MOL File】
2,3,7,8,12,13,17,18-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,3,7,8,12,13,17,18-OCTAFLUORO-5,10,15,20-TETRAKIS(PENTAFLUOROPHENYL)-21H,23H-PORPHYRIN.cml