Iron(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride

Catalog Number	ACM16456818-5
CAS	16456-81-8
Structure
Synonyms	Iron(III) tetraphenylporphyrin chloride
Molecular Weight	776.9
Molecular Formula	C44H30Cl3FeN4
Canonical SMILES	C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)N3.[Cl-].[Cl-].[Cl-].[Fe+3]
InChI	InChI=1S/C44H30N4.3ClH.Fe/c1-5-13-29(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)46-3;/h1-28,45-46H;3*1H;/q;+3/p-3
InChI Key	QDTNPIPZGCOFPA-UHFFFAOYSA-K
Melting Point	300 °C
Purity	98%
Appearance	Crystal
Exact Mass	775.088541
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Monoisotopic Mass	775.088541
Rotatable Bond Count	4
Topological Polar Surface Area	57.4 Ų