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

Catalog Number	ACM72076096-2
CAS	72076-09-6
Structure
Description	5,10,15,20-Tetrakis(pentafluorophenyl)-21H,23H-porphine palladium(II) is a phosphorescent dye that is a derivative of palladium(II). It can be used as a singlet oxygen sensitizer due to the presence of fluorine atoms. It provides photostability and is resistant to oxidation.
Synonyms	Pd(II)meso-tetra(pentafluorophenyl) porphine
IUPAC Name	palladium(2+);5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-22,24-diide
Molecular Weight	1078.9
Molecular Formula	C44H8F20N4Pd
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]
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-2;+2
InChI Key	GRRRJZUTYPIXFO-UHFFFAOYSA-N
Melting Point	>300 °C
Purity	98%+
Application	It can be used as a porphyrin dye with a high quantum yield for use in the fabrication of oxygen sensors.
Storage	−20°C
Complexity	1390
Covalently-Bonded Unit Count	2
Exact Mass	1077.94644
Formal Charge	0
Heavy Atom Count	69
Hydrogen Bond Acceptor Count	24
Hydrogen Bond Donor Count	0
MDL Number	MFCD01320999
Monoisotopic Mass	1077.94644
Rotatable Bond Count	4
Topological Polar Surface Area	26.7 Ų