109781-47-7
PT(II) MESO-TETRA(PENTAFLUOROPHENYL)PORPHINE
NamePT(II) MESO-TETRA(PENTAFLUOROPHENYL)PORPHINE
1Identification
【Name】
PT(II) MESO-TETRA(PENTAFLUOROPHENYL)PORPHINE
【CAS】
【MDL】
MFCD00672302
【English Synonyms】
【Formula】
C44 H8 F20 N4 Pt
【MolWeight】
1167.62
【Inchi】
InChI=1S/C44H8F20N4.Pt/c45-25-21(26(46)34(54)41(61)33(25)53)17-9-1-2-10(65-9)18(22-27(47)35(55)42(62)36(56)28(22)48)12-5-6-14(67-12)20(24-31(51)39(59)44(64)40(60)32(24)52)16-8-7-15(68-16)19(13-4-3-11(17)66-13)23-29(49)37(57)43(63)38(58)30(23)50;/h1-8H;/q-2;+2/b17-9+,17-11+,18-10+,18-12+,19-13+,19-15+,20-14+,20-16+;
【InChIKey】
InChIKey=OXKPMKLTIJUTAM-HQJDZOCDSA-N
【SMILES】
c1cc2/c(c/3\nc(/c(c\4/cc/c5/n4[Pt]n2c1/c(c/6\nc(\c5\c7c(c(c(c(c7F)F)F)F)F)C=C6)/c8c(c(c(c(c8F)F)F)F)F)/c9c(c(c(c(c9F)F)F)F)F)C=C3)/c1c(c(c(c(c1F)F)F)F)F
【MOL File】
PT(II) MESO-TETRA(PE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
PT(II) MESO-TETRA(PENTAFLUOROPHENYL)PORPHINE.cml