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14514-68-2 | Ni(II) meso-Tetra (4-pyridyl) porphine
CAS No: 14514-68-2 Catalog No: AG00JSK9 MDL No:
Product Description
Catalog Number:
AG00JSK9
Chemical Name:
Ni(II) meso-Tetra (4-pyridyl) porphine
CAS Number:
14514-68-2
Molecular Formula:
C40H24N8Ni
Molecular Weight:
675.3656
IUPAC Name:
nickel(2+);5,10,15,20-tetrapyridin-4-ylporphyrin-22,24-diide
InChI:
InChI=1S/C40H24N8.Ni/c1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25;/h1-24H;/q-2;+2
InChI Key:
LNHHCWBXIHHQIW-UHFFFAOYSA-N
SMILES:
n1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c/2\n3[Ni]n4c1ccc4/C(=C\1/C=CC(=N1)/C(=c\3/cc2)/c1ccncc1)/c1ccncc1)/c1ccncc1
Properties
Complexity:
1350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
674.148g/mol
Formal Charge:
0
Heavy Atom Count:
49
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
675.381g/mol
Monoisotopic Mass:
674.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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