2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-4,6-dibromophenol

C20H14Br2N2O — CID 135675783

IUPAC2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-4,6-dibromophenol
SMILESOc1c(Br)cc(Br)cc1/C=N/N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H14Br2N2O/c21-17-11-16(20(25)18(22)12-17)13-23-24-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,25H/b23-13+
InChIKeyLBUOYJCXTZXTHF-YDZHTSKRSA-N
MW458.15 g/mol
LogP5.79
Rot. Bonds4

About 2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-4,6-dibromophenol

2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-4,6-dibromophenol (PubChem CID 135675783) has the molecular formula C20H14Br2N2O and a molecular weight of 458.15 g/mol. Its IUPAC name is 2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-4,6-dibromophenol.

Molecular Properties

Compound Name2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-4,6-dibromophenol
PubChem CID135675783
Molecular FormulaC20H14Br2N2O
Molecular Weight458.15 g/mol
Exact Mass455.95
IUPAC Name2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-4,6-dibromophenol
SMILESOc1c(Br)cc(Br)cc1/C=N/N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H14Br2N2O/c21-17-11-16(20(25)18(22)12-17)13-23-24-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,25H/b23-13+
InChIKeyLBUOYJCXTZXTHF-YDZHTSKRSA-N
XLogP5.79
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.15
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135459439
3-[(benzhydrylidenehydrazinylidene)methyl]benzene-1,2-diol
CID 2127680
2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 135435056
(E)-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-1,1-diphenylmethanimine
CID 135676058
(E)-N-[(E)-(3-bromothiophen-2-yl)methylideneamino]-1,1-diphenylmethanimine
CID 89330312
2-[(benzhydrylidenehydrazinylidene)methyl]-4-chloro-6-nitrophenol
CID 2391679
2,4-dibromo-6-[(E)-pyridin-2-yliminomethyl]phenol
CID 135458806
2,4-dibromo-6-[(3-bromophenyl)iminomethyl]phenol
CID 1286585
2,4-dibromo-6-[(2,6-dimethylphenyl)iminomethyl]phenol
CID 135501673
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-diphenylphosphorylacetamide
CID 135425020
4-[2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 2789144
2,4-dibromo-6-(ethyliminomethyl)phenol
CID 139079595

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-4,6-dibromophenol?
The IUPAC name of 2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-4,6-dibromophenol (CID 135675783) is 2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-4,6-dibromophenol.
What is the SMILES notation for 2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-4,6-dibromophenol?
The canonical SMILES for 2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-4,6-dibromophenol is Oc1c(Br)cc(Br)cc1/C=N/N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-4,6-dibromophenol?
The InChIKey is LBUOYJCXTZXTHF-YDZHTSKRSA-N. The full InChI is InChI=1S/C20H14Br2N2O/c21-17-11-16(20(25)18(22)12-17)13-23-24-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,25H/b23-13+.
What are the key properties of 2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-4,6-dibromophenol?
2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-4,6-dibromophenol has a molecular weight of 458.15 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-4,6-dibromophenol is sourced from PubChem (CID 135675783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).