Synonyms
Manganese(3+);5,10,15,20-tetraphenylporphyrin-22,24-diide;chloride
IUPAC Name
manganese(3+);5,10,15,20-tetraphenylporphyrin-22,24-diide;chloride;
Molecular Weight
703.1
Molecular Formula
C44H28ClMnN4
Canonical SMILES
C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)[N-]3.[Cl-].[Mn+3]
InChI
InChI=1S/C44H28N4.ClH.Mn/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)46-36;/h1-28H;1H;/q-2;+3/p-1
InChI Key
MIUMWNDEIWVIEG-UHFFFAOYSA-M
Melting Point
>320 °C
Purity
97%
Complexity
807
Covalently-Bonded Unit Count
3
Exact Mass
702.138293
H-Bond Acceptor
5
Heavy Atom Count
50
Monoisotopic Mass
702.138293
Rotatable Bond Count
4
Topological Polar Surface Area
27.8 Ų
