(2E)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone

C21H15BrN2O2 — CID 137306450

IUPAC(2E)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
SMILESO=C(/C(=N/N=C\c1cc(Br)ccc1O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15BrN2O2/c22-18-11-12-19(25)17(13-18)14-23-24-20(15-7-3-1-4-8-15)21(26)16-9-5-2-6-10-16/h1-14,25H/b23-14-,24-20+
InChIKeyGYVLGFVRFOOFOQ-QRRWMIHDSA-N
MW407.27 g/mol
LogP4.86
Rot. Bonds5

About (2E)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone

(2E)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone (PubChem CID 137306450) has the molecular formula C21H15BrN2O2 and a molecular weight of 407.27 g/mol. Its IUPAC name is (2E)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone.

Molecular Properties

Compound Name(2E)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
PubChem CID137306450
Molecular FormulaC21H15BrN2O2
Molecular Weight407.27 g/mol
Exact Mass406.03
IUPAC Name(2E)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
SMILESO=C(/C(=N/N=C\c1cc(Br)ccc1O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15BrN2O2/c22-18-11-12-19(25)17(13-18)14-23-24-20(15-7-3-1-4-8-15)21(26)16-9-5-2-6-10-16/h1-14,25H/b23-14-,24-20+
InChIKeyGYVLGFVRFOOFOQ-QRRWMIHDSA-N
XLogP4.86
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.27
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
The IUPAC name of (2E)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone (CID 137306450) is (2E)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone.
What is the SMILES notation for (2E)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
The canonical SMILES for (2E)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone is O=C(/C(=N/N=C\c1cc(Br)ccc1O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2E)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
The InChIKey is GYVLGFVRFOOFOQ-QRRWMIHDSA-N. The full InChI is InChI=1S/C21H15BrN2O2/c22-18-11-12-19(25)17(13-18)14-23-24-20(15-7-3-1-4-8-15)21(26)16-9-5-2-6-10-16/h1-14,25H/b23-14-,24-20+.
What are the key properties of (2E)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
(2E)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone has a molecular weight of 407.27 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone is sourced from PubChem (CID 137306450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).