2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphine palladium(II)

Catalog Number	ACM24804000-3
CAS	24804-00-0
Structure
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
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Monoisotopic Mass	638.26008
Rotatable Bond Count	8
Topological Polar Surface Area	26.7 Ų