2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol

C14H8Br4N2O2 — CID 135459439

IUPAC2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C14H8Br4N2O2/c15-9-1-7(13(21)11(17)3-9)5-19-20-6-8-2-10(16)4-12(18)14(8)22/h1-6,21-22H/b19-5+,20-6+
InChIKeyKGBGZCIYGGUQKO-OGBZJDJUSA-N
MW555.85 g/mol
LogP5.60
Rot. Bonds3

About 2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol

2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol (PubChem CID 135459439) has the molecular formula C14H8Br4N2O2 and a molecular weight of 555.85 g/mol. Its IUPAC name is 2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
PubChem CID135459439
Molecular FormulaC14H8Br4N2O2
Molecular Weight555.85 g/mol
Exact Mass551.73
IUPAC Name2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C14H8Br4N2O2/c15-9-1-7(13(21)11(17)3-9)5-19-20-6-8-2-10(16)4-12(18)14(8)22/h1-6,21-22H/b19-5+,20-6+
InChIKeyKGBGZCIYGGUQKO-OGBZJDJUSA-N
XLogP5.60
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.85
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 135435056
2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-4,6-dibromophenol
CID 135675783
2,4-dibromo-6-(ethyliminomethyl)phenol
CID 139079595
2,4-dibromo-6-[(methylhydrazinylidene)methyl]phenol;phosphoric acid
CID 136577523
2,4-dibromo-6-[[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol
CID 139083032
2,4-dibromo-6-(piperidin-1-yliminomethyl)phenol
CID 135709522
2,4-dibromo-6-[(3-bromophenyl)iminomethyl]phenol
CID 1286585
4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3,5-dimethylphenol
CID 135689605
2,4-dibromo-6-[(2,6-dimethylphenyl)iminomethyl]phenol
CID 135501673
2,4-dibromo-6-(3-bromoprop-1-enyl)phenol
CID 169476608
2,4-dibromo-6-(3-hydroxyprop-1-enyl)phenol
CID 169454368
2,4-dibromo-6-[[4-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol
CID 4655751

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol?
The IUPAC name of 2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol (CID 135459439) is 2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol is Oc1c(Br)cc(Br)cc1/C=N/N=C/c1cc(Br)cc(Br)c1O.
What is the InChIKey of 2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol?
The InChIKey is KGBGZCIYGGUQKO-OGBZJDJUSA-N. The full InChI is InChI=1S/C14H8Br4N2O2/c15-9-1-7(13(21)11(17)3-9)5-19-20-6-8-2-10(16)4-12(18)14(8)22/h1-6,21-22H/b19-5+,20-6+.
What are the key properties of 2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol?
2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol has a molecular weight of 555.85 g/mol, XLogP of 5.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol is sourced from PubChem (CID 135459439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).