5,10,15,20-Tetrakis(pentafluorophenyl)-21H,23H-porphine Palladium(II)

• Catalog: OFC72076096
• CAS: 72076-09-6
• Category: Fluorinated Metal Complexes
• Synonyms: Pd(II) meso-tetra(pentafluorophenyl)porphine
• Purity: >99%
• MDL Number: MFCD01320999

• IUPAC Name: palladium(2+); 5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-22,24-diide
• InChI: InChI=1S/C44H8F20N4.Pd/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-
• InChI Key: GRRRJZUTYPIXFO-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=C(C3=NC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C1[N-]2)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.[Pd+2]
• Canonical SMILES: C1=CC2=C(C3=NC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C1[N-]2)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.[Pd+2]
• EC Number: 635-348-8

• Molecular Formula: C44H8F20N4Pd
• Molecular Weight: 1078.95
• Melting Point: >300 °C (dec.)
• Appearance: Red to purple powder, crystals, or chunks

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 24
• Rotatable Bond Count: 4
• Exact Mass: 1077.946447
• Monoisotopic Mass: 1077.946447
• Topological Polar Surface Area: 26.7Ų
• Heavy Atom Count: 69
• Formal Charge: 0
• Complexity: 1960