![{[CurrentData.Name]}](https://resource.alfachemic.com/structure/24803-99-4.gif)
Synonyms
Nickel(2+);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide
IUPAC Name
nickel(2+);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide
Molecular Weight
591.5
Molecular Formula
C36H44N4Ni
Canonical SMILES
CCC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)CC)CC)CC)CC)C(=C3CC)CC)CC.[Ni+2]
InChI
InChI=1S/C36H44N4.Ni/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;/h17-20H,9-16H2,1-8H3;/q-2;+2
InChI Key
DIGQQRGHPATISA-UHFFFAOYSA-N
Melting Point
>300 °C
Purity
98%
Storage
room temperature
Complexity
1150
Covalently-Bonded Unit Count
2
Exact Mass
590.291939
Formal Charge
0
H-Bond Acceptor
4
H-Bond Donor
0
Heavy Atom Count
41
Monoisotopic Mass
590.291939
Rotatable Bond Count
8
Topological Polar Surface Area
26.7 Ų
