μ-Oxo-bis(5,10,15,20-tetrakis(4-methylphenyl)porphinato iron)

Catalog Number	ACM174094316
CAS	174094-31-6
Synonyms	Iron(III)meso-tetrakis(4-methylphenyl)porphine-μ-oxodimer
Molecular Weight	1465.34
Molecular Formula	C96H72Fe2N8O
Canonical SMILES	CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)C=C4)C9=CC=C(C=C9)C)[N-]3.CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)C=C4)C9=CC=C(C=C9)C)[N-]3.[O-2].[Fe].[Fe]
InChI	InChI=1S/2C48H36N4.2Fe.O/c2*1-29-5-13-33(14-6-29)45-37-21-23-39(49-37)46(34-15-7-30(2)8-16-34)41-25-27-43(51-41)48(36-19-11-32(4)12-20-36)44-28-26-42(52-44)47(40-24-22-38(45)50-40)35-17-9-31(3)10-18-35;/h2*5-28H,1-4H3;/q2*-2;-2
InChI Key	FXSDBYPIYRDPCJ-UHFFFAOYSA-N
Purity	98%
Complexity	2980
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	0
Exact Mass	1465.456135
Heavy Atom Count	107
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	0
Monoisotopic Mass	1464.45278
Rotatable Bond Count	8
Topological Polar Surface Area	54.4 Ų