4-[(E)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,3-diol

C24H20N4O2 — CID 135498056

IUPAC4-[(E)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,3-diol
SMILESCN(/N=C/c1ccc(O)cc1O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C24H20N4O2/c1-28(25-16-19-12-13-20(29)14-23(19)30)24-26-21(17-8-4-2-5-9-17)15-22(27-24)18-10-6-3-7-11-18/h2-16,29-30H,1H3/b25-16+
InChIKeyUNVYPRQZSMDVIN-PCLIKHOPSA-N
MW396.45 g/mol
LogP4.69
Rot. Bonds5

About 4-[(E)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,3-diol

4-[(E)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,3-diol (PubChem CID 135498056) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 4-[(E)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,3-diol
PubChem CID135498056
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name4-[(E)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,3-diol
SMILESCN(/N=C/c1ccc(O)cc1O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C24H20N4O2/c1-28(25-16-19-12-13-20(29)14-23(19)30)24-26-21(17-8-4-2-5-9-17)15-22(27-24)18-10-6-3-7-11-18/h2-16,29-30H,1H3/b25-16+
InChIKeyUNVYPRQZSMDVIN-PCLIKHOPSA-N
XLogP4.69
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(E)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,3-diol (CID 135498056) is 4-[(E)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,3-diol is CN(/N=C/c1ccc(O)cc1O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of 4-[(E)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,3-diol?
The InChIKey is UNVYPRQZSMDVIN-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-28(25-16-19-12-13-20(29)14-23(19)30)24-26-21(17-8-4-2-5-9-17)15-22(27-24)18-10-6-3-7-11-18/h2-16,29-30H,1H3/b25-16+.
What are the key properties of 4-[(E)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,3-diol?
4-[(E)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,3-diol has a molecular weight of 396.45 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,3-diol is sourced from PubChem (CID 135498056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).