5,10,15,20-Tetrakis(4-methoxyphenyl)-21H,23H-porphine iron(iii)chloride

• Catalog Number: ACM36995207
• Product Name: 5,10,15,20-Tetrakis(4-methoxyphenyl)-21H,23H-porphine iron(iii)chloride
• CAS: 36995-20-7
• Category: Organic & Printed Electronics
• Synonyms: TETRAMETHOXYPHENYLPORPHYRIN IRON III CHLORIDE;TMPPFECL;5,10,15,20-TETRAKIS(4-METHOXYPHENYL)-21H,23H-PORPHINE IRON(III) CHLORIDE;5,10,15,20-TETRAKIS(4-METHOXYPHENYL)-21H,23H-PORPHYRINE IRON(III) CHLORIDE;5,10,15,20-tetrakis(4-methoxyphenyl)-21H,23H-porp;te
• IUPAC Name: iron(3+);methoxybenzene;10,15,20-tris(4-methoxyphenyl)-21,22-dihydroporphyrin;dichloride
• Molecular Weight: 862.6g/mol
• 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
• Complexity: 1080
• Covalently-Bonded Unit Count: 5
• Exact Mass: 861.169772g/mol
• Formal Charge: 0
• H-Bond Acceptor: 9
• H-Bond Donor: 2
• Heavy Atom Count: 59
• Monoisotopic Mass: 861.169772g/mol
• Rotatable Bond Count: 7