Iron(3+);methoxybenzene;10,15,20-tris(4-methoxyphenyl)-21,22-dihydroporphyrin;dichloride

Catalog Number	ACM36995207-1
CAS	36995-20-7
Structure
Synonyms	5,10,15,20-Tetrakis(4-methoxyphenyl)porphyrin-Fe(III) chloride
Molecular Weight	862.6
Molecular Formula	C48H39Cl2FeN4O4
Canonical SMILES	COC1=CC=[C-]C=C1.COC1=CC=C(C=C1)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)N3.[Cl-].[Cl-].[Fe+3]
InChI	InChI=1S/C41H32N4O3.C7H7O.2ClH.Fe/c1-46-30-12-4-25(5-13-30)39-33-18-10-28(42-33)24-29-11-19-34(43-29)40(26-6-14-31(47-2)15-7-26)36-21-23-38(45-36)41(37-22-20-35(39)44-37)27-8-16-32(48-3)17-9-27;1-8-7-5-3-2-4-6-7;/h4-24,42-43H,1-3H3;3-6H,1H3;2*1H;/q;-1;+3/p-2
InChI Key	ZKOPIALJZKUWLE-UHFFFAOYSA-L
Purity	97%
Exact Mass	861.169772
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	2
Monoisotopic Mass	861.169772
Rotatable Bond Count	7
Topological Polar Surface Area	94.3 Ų