Synonyms
Vanadyl (IV) mesotetraphenylporphine
IUPAC Name
oxovanadium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide;
Molecular Weight
679.7
Molecular Formula
C44H28N4OV
Canonical SMILES
C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.O=[V+2]
InChI
InChI=1S/C44H28N4.O.V/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;/q-2;+2
InChI Key
WDCQRRQLLCXEFB-UHFFFAOYSA-N
Appearance
Crystalline
Complexity
1360
Covalently-Bonded Unit Count
2
Defined Atom Stereocenter Count
0
Exact Mass
679.170269
H-Bond Acceptor
5
Heavy Atom Count
50
Monoisotopic Mass
679.170269
Rotatable Bond Count
4
Topological Polar Surface Area
43.8 Ų
