Synonyms
Palladium(II) 2-3-7-8-12-13-17-18-(octaethyl)porphyrin
IUPAC Name
2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;palladium(2+);
Molecular Weight
639.2
Molecular Formula
C36H44N4Pd
Canonical SMILES
CCC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)CC)CC)CC)CC)C(=C3CC)CC)CC.[Pd+2]
InChI
InChI=1S/C36H44N4.Pd/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;/h17-20H,9-16H2,1-8H3;/q-2;+2
InChI Key
FVPOYVGWFFRIHG-UHFFFAOYSA-N
Purity
95%+
Complexity
1150
Covalently-Bonded Unit Count
2
Exact Mass
638.26008
H-Bond Acceptor
4
Heavy Atom Count
41
Monoisotopic Mass
638.26008
Rotatable Bond Count
8
Topological Polar Surface Area
26.7 Ų
