Synonyms
ANW-25722; ACMC-209gjw; Iron(III) ionophore IV, Selectophore(TM), function tested; TR-011620; AKOS015853277; KS-000012W2; 5,10,15,20-Tetrakis(pentafluorophenyl)porphyrin; 21H,23H-Porphine, 5,10,15,20-tetrakis(pentafluorophenyl)-; I14-18654; tetrakis(pentafluorophenyl)porphyrin;
IUPAC Name
5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin;
Molecular Weight
974.56g/mol
Molecular Formula
C44H10F20N4;
Canonical SMILES
C1=CC2=C(C3=NC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C1N2)C6=C(C(=C(C(=C6F)F)F)F)F)C7=C(C(=C(C(=C7F)F)F)F)F)C8=C(C(=C(C(=C8F)F)F)F)F)C=C3)C9=C(C(=C(C(=C9F)F)F)F)F;
InChI
InChI=1S/C44H10F20N4/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/h1-8,65,68H;
InChI Key
VJEVAXUMNMFKDT-UHFFFAOYSA-N;
Complexity
1440
Covalently-Bonded Unit Count
1
Exact Mass
974.059g/mol
H-Bond Acceptor
22
H-Bond Donor
2
Heavy Atom Count
68
Monoisotopic Mass
974.059g/mol
Rotatable Bond Count
4
Topological Polar Surface Area
57.4A^2
