2-[(E)-(benzoylhydrazinylidene)methyl]-4,6-dibromophenolate;2-[(Z)-(benzoylhydrazinylidene)methyl]-4,6-dibromophenolate;iron(2+)

C28H18Br4FeN4O4 — CID 24893463

IUPAC2-[(E)-(benzoylhydrazinylidene)methyl]-4,6-dibromophenolate;2-[(Z)-(benzoylhydrazinylidene)methyl]-4,6-dibromophenolate;iron(2+)
SMILESO=C(N/N=C/c1cc(Br)cc(Br)c1[O-])c1ccccc1.O=C(N/N=C/c1cc(Br)cc(Br)c1[O-])c1ccccc1.[Fe+2]
InChIInChI=1S/2C14H10Br2N2O2.Fe/c2*15-11-6-10(13(19)12(16)7-11)8-17-18-14(20)9-4-2-1-3-5-9;/h2*1-8,19H,(H,18,20);/q;;+2/p-2/b2*17-8+;
InChIKeyUNNVYJYUBMCQFM-QZYMEUQESA-L
MW849.94 g/mol
LogP6.10
Rot. Bonds6

About 2-[(E)-(benzoylhydrazinylidene)methyl]-4,6-dibromophenolate;2-[(Z)-(benzoylhydrazinylidene)methyl]-4,6-dibromophenolate;iron(2+)

2-[(E)-(benzoylhydrazinylidene)methyl]-4,6-dibromophenolate;2-[(Z)-(benzoylhydrazinylidene)methyl]-4,6-dibromophenolate;iron(2+) (PubChem CID 24893463) has the molecular formula C28H18Br4FeN4O4 and a molecular weight of 849.94 g/mol. Its IUPAC name is 2-[(E)-(benzoylhydrazinylidene)methyl]-4,6-dibromophenolate;2-[(Z)-(benzoylhydrazinylidene)methyl]-4,6-dibromophenolate;iron(2+).

Molecular Properties

Compound Name2-[(E)-(benzoylhydrazinylidene)methyl]-4,6-dibromophenolate;2-[(Z)-(benzoylhydrazinylidene)methyl]-4,6-dibromophenolate;iron(2+)
PubChem CID24893463
Molecular FormulaC28H18Br4FeN4O4
Molecular Weight849.94 g/mol
Exact Mass845.74
IUPAC Name2-[(E)-(benzoylhydrazinylidene)methyl]-4,6-dibromophenolate;2-[(Z)-(benzoylhydrazinylidene)methyl]-4,6-dibromophenolate;iron(2+)
SMILESO=C(N/N=C/c1cc(Br)cc(Br)c1[O-])c1ccccc1.O=C(N/N=C/c1cc(Br)cc(Br)c1[O-])c1ccccc1.[Fe+2]
InChIInChI=1S/2C14H10Br2N2O2.Fe/c2*15-11-6-10(13(19)12(16)7-11)8-17-18-14(20)9-4-2-1-3-5-9;/h2*1-8,19H,(H,18,20);/q;;+2/p-2/b2*17-8+;
InChIKeyUNNVYJYUBMCQFM-QZYMEUQESA-L
XLogP6.10
TPSA129.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.94
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

copper;2-[(E)-(benzoylhydrazinylidene)methyl]-4,6-dibromophenolate;2-[(Z)-(benzoylhydrazinylidene)methyl]-4,6-dibromophenolate
CID 24893930
2,4-dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;2,4-dibromo-6-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;iron(3+);chloride
CID 24893012
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135604353
N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136912832
N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-[(2-phenylacetyl)amino]benzamide
CID 137062419
tetracopper;bis(2,6-bis[(E)-(benzoylhydrazinylidene)methyl]-4-methylphenolate);methanolate;dinitrate
CID 139141318
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 135738438
4-bromo-2-[(E)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-nitrophenolate
CID 7353787
[2-[(Z)-(benzoylhydrazinylidene)methyl]-4-bromophenyl] benzoate
CID 6146613
N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide
CID 45048078
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-pyrrol-1-ylbenzamide
CID 5127516
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 1001834

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(benzoylhydrazinylidene)methyl]-4,6-dibromophenolate;2-[(Z)-(benzoylhydrazinylidene)methyl]-4,6-dibromophenolate;iron(2+)?
The IUPAC name of 2-[(E)-(benzoylhydrazinylidene)methyl]-4,6-dibromophenolate;2-[(Z)-(benzoylhydrazinylidene)methyl]-4,6-dibromophenolate;iron(2+) (CID 24893463) is 2-[(E)-(benzoylhydrazinylidene)methyl]-4,6-dibromophenolate;2-[(Z)-(benzoylhydrazinylidene)methyl]-4,6-dibromophenolate;iron(2+).
What is the SMILES notation for 2-[(E)-(benzoylhydrazinylidene)methyl]-4,6-dibromophenolate;2-[(Z)-(benzoylhydrazinylidene)methyl]-4,6-dibromophenolate;iron(2+)?
The canonical SMILES for 2-[(E)-(benzoylhydrazinylidene)methyl]-4,6-dibromophenolate;2-[(Z)-(benzoylhydrazinylidene)methyl]-4,6-dibromophenolate;iron(2+) is O=C(N/N=C/c1cc(Br)cc(Br)c1[O-])c1ccccc1.O=C(N/N=C/c1cc(Br)cc(Br)c1[O-])c1ccccc1.[Fe+2].
What is the InChIKey of 2-[(E)-(benzoylhydrazinylidene)methyl]-4,6-dibromophenolate;2-[(Z)-(benzoylhydrazinylidene)methyl]-4,6-dibromophenolate;iron(2+)?
The InChIKey is UNNVYJYUBMCQFM-QZYMEUQESA-L. The full InChI is InChI=1S/2C14H10Br2N2O2.Fe/c2*15-11-6-10(13(19)12(16)7-11)8-17-18-14(20)9-4-2-1-3-5-9;/h2*1-8,19H,(H,18,20);/q;;+2/p-2/b2*17-8+;.
What are the key properties of 2-[(E)-(benzoylhydrazinylidene)methyl]-4,6-dibromophenolate;2-[(Z)-(benzoylhydrazinylidene)methyl]-4,6-dibromophenolate;iron(2+)?
2-[(E)-(benzoylhydrazinylidene)methyl]-4,6-dibromophenolate;2-[(Z)-(benzoylhydrazinylidene)methyl]-4,6-dibromophenolate;iron(2+) has a molecular weight of 849.94 g/mol, XLogP of 6.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(benzoylhydrazinylidene)methyl]-4,6-dibromophenolate;2-[(Z)-(benzoylhydrazinylidene)methyl]-4,6-dibromophenolate;iron(2+) is sourced from PubChem (CID 24893463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).