Meso-5,10,15,20-tetraphenyl-21H,23H-porphineironu-oxodimer

Catalog Number	ACM12582615-1
CAS	12582-61-5
Structure
Synonyms	Iron(III) meso-tetraphenylporphine-mu-oxo dimer
Molecular Weight	1355.1
Molecular Formula	C88H58Fe2N8O
Canonical SMILES	C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.O.[Fe+2].[Fe+2]
InChI	InChI=1S/2C44H28N4.2Fe.H2O/c2*1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h2*1-28H;1H2/q2*-2;2*+2;
InChI Key	JTFKJCUSDKAMIA-UHFFFAOYSA-N
Purity	97%
Appearance	Purple crystal
Complexity	2910
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	0
Exact Mass	1354.34323
Heavy Atom Count	99
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	1
Monoisotopic Mass	1354.34323
Rotatable Bond Count	8
Topological Polar Surface Area	54.4 Ų