4-[2-[2-(2-phenylphenyl)ethenyl]phenyl]benzohydrazide

C27H22N2O — CID 174466684

IUPAC4-[2-[2-(2-phenylphenyl)ethenyl]phenyl]benzohydrazide
SMILESNNC(=O)c1ccc(-c2ccccc2C=Cc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C27H22N2O/c28-29-27(30)24-18-16-23(17-19-24)26-13-7-5-11-22(26)15-14-21-10-4-6-12-25(21)20-8-2-1-3-9-20/h1-19H,28H2,(H,29,30)
InChIKeyAWGGLLOMSJKVBW-UHFFFAOYSA-N
MW390.49 g/mol
LogP5.79
Rot. Bonds5

About 4-[2-[2-(2-phenylphenyl)ethenyl]phenyl]benzohydrazide

4-[2-[2-(2-phenylphenyl)ethenyl]phenyl]benzohydrazide (PubChem CID 174466684) has the molecular formula C27H22N2O and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-[2-[2-(2-phenylphenyl)ethenyl]phenyl]benzohydrazide.

Molecular Properties

Compound Name4-[2-[2-(2-phenylphenyl)ethenyl]phenyl]benzohydrazide
PubChem CID174466684
Molecular FormulaC27H22N2O
Molecular Weight390.49 g/mol
Exact Mass390.17
IUPAC Name4-[2-[2-(2-phenylphenyl)ethenyl]phenyl]benzohydrazide
SMILESNNC(=O)c1ccc(-c2ccccc2C=Cc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C27H22N2O/c28-29-27(30)24-18-16-23(17-19-24)26-13-7-5-11-22(26)15-14-21-10-4-6-12-25(21)20-8-2-1-3-9-20/h1-19H,28H2,(H,29,30)
InChIKeyAWGGLLOMSJKVBW-UHFFFAOYSA-N
XLogP5.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-phenylphenyl)ethenyl]phenyl]benzohydrazide?
The IUPAC name of 4-[2-[2-(2-phenylphenyl)ethenyl]phenyl]benzohydrazide (CID 174466684) is 4-[2-[2-(2-phenylphenyl)ethenyl]phenyl]benzohydrazide.
What is the SMILES notation for 4-[2-[2-(2-phenylphenyl)ethenyl]phenyl]benzohydrazide?
The canonical SMILES for 4-[2-[2-(2-phenylphenyl)ethenyl]phenyl]benzohydrazide is NNC(=O)c1ccc(-c2ccccc2C=Cc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 4-[2-[2-(2-phenylphenyl)ethenyl]phenyl]benzohydrazide?
The InChIKey is AWGGLLOMSJKVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O/c28-29-27(30)24-18-16-23(17-19-24)26-13-7-5-11-22(26)15-14-21-10-4-6-12-25(21)20-8-2-1-3-9-20/h1-19H,28H2,(H,29,30).
What are the key properties of 4-[2-[2-(2-phenylphenyl)ethenyl]phenyl]benzohydrazide?
4-[2-[2-(2-phenylphenyl)ethenyl]phenyl]benzohydrazide has a molecular weight of 390.49 g/mol, XLogP of 5.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-phenylphenyl)ethenyl]phenyl]benzohydrazide is sourced from PubChem (CID 174466684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).