Iron(3+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide;chloride

Catalog Number	ACM19496185-1
CAS	19496-18-5
Structure
Synonyms	Meso-tetratolylporphyrin-Fe(III)chloride
Molecular Weight	760.1
Molecular Formula	C48H36ClFeN4
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.[Cl-].[Fe+3]
InChI	InChI=1S/C48H36N4.ClH.Fe/c1-29-5-13-33(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;/h5-28H,1-4H3;1H;/q-2;+3/p-1
InChI Key	ULLBMEVRMAFVTQ-UHFFFAOYSA-M
Melting Point	>300 °C
Purity	95%
Exact Mass	759.197785
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Monoisotopic Mass	759.197785
Rotatable Bond Count	4
Topological Polar Surface Area	27.8 Ų