AC1NX7TX

iron(3+);5,10,15,20-tetrakis(1-methylpyridin-1-ium-3-yl)porphyrin-22,23-diide;acetate

Also Known As: Iron(III), acetato(5,10,15,20-tetrakis(1-methylpyridinium-3-yl)-21H,23H-porphinato)-|21H,23H-Porphine, pyridinium deriv., iron complex|Iron(4+), (acetato-O)((3,3',3'',3'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis(1-methylpyridiniumato))(2-)-N21,N22,N23,N24)-, (SP-5-12)-|Pyridinium, 3,3',3'',3'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis(1-methyl-, Fe complex|iron(3+); 5,10,15,20-tetrakis(1-methylpyridin-1-ium-3-yl)porphyrin-22,23-diide; acetate

Molecular Formula	C46H39FeN8O2+4
Molecular Weight	791.2545 g/mol
LogP	4.6335
Topological Polar Surface Area	109.63 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	791.2545
Monoisotopic Mass	791.2545
Heavy Atoms	57
Complexity	2777.3525

Chemical Identifiers

CAS Number	83201-55-2
SMILES	CC(=O)[O-].C[N+]1=CC=CC(=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C[N+](=CC=C7)C)C8=C[N+](=CC=C8)C)C9=C[N+](=CC=C9)C)[N-]3.[Fe+3]