16563-93-2 Purity
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Specification
The molecular formula is C44H28FeN4.
The molecular weight is 668.6 g/mol.
Some synonyms include Iron tetraphenylporphine iron(2+), 5,10,15,20-tetraphenylporphyrin-22,24-diide, and more.
It was created on 2006-10-26 and last modified on 2023-12-30.
The component compounds include Iron, Tetraphenylporphyrin, and 5,10,15,20-Tetraphenyl-21,22-dihydroporphyrin.
The IUPAC name is iron(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide.
The Canonical SMILES is 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.[Fe+2].
The Hydrogen Bond Acceptor Count is 4.
The Heavy Atom Count is 49.
Yes, it is a canonicalized compound.
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