5-ethenyl-2-(2-phenylphenyl)-6-prop-1-en-2-ylpyridine-3-carbaldehyde

C23H19NO — CID 145483379

IUPAC5-ethenyl-2-(2-phenylphenyl)-6-prop-1-en-2-ylpyridine-3-carbaldehyde
SMILESC=Cc1cc(C=O)c(-c2ccccc2-c2ccccc2)nc1C(=C)C
InChIInChI=1S/C23H19NO/c1-4-17-14-19(15-25)23(24-22(17)16(2)3)21-13-9-8-12-20(21)18-10-6-5-7-11-18/h4-15H,1-2H2,3H3
InChIKeyQNQWURAEKDXUOS-UHFFFAOYSA-N
MW325.41 g/mol
LogP5.90
Rot. Bonds5

About 5-ethenyl-2-(2-phenylphenyl)-6-prop-1-en-2-ylpyridine-3-carbaldehyde

5-ethenyl-2-(2-phenylphenyl)-6-prop-1-en-2-ylpyridine-3-carbaldehyde (PubChem CID 145483379) has the molecular formula C23H19NO and a molecular weight of 325.41 g/mol. Its IUPAC name is 5-ethenyl-2-(2-phenylphenyl)-6-prop-1-en-2-ylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-ethenyl-2-(2-phenylphenyl)-6-prop-1-en-2-ylpyridine-3-carbaldehyde
PubChem CID145483379
Molecular FormulaC23H19NO
Molecular Weight325.41 g/mol
Exact Mass325.15
IUPAC Name5-ethenyl-2-(2-phenylphenyl)-6-prop-1-en-2-ylpyridine-3-carbaldehyde
SMILESC=Cc1cc(C=O)c(-c2ccccc2-c2ccccc2)nc1C(=C)C
InChIInChI=1S/C23H19NO/c1-4-17-14-19(15-25)23(24-22(17)16(2)3)21-13-9-8-12-20(21)18-10-6-5-7-11-18/h4-15H,1-2H2,3H3
InChIKeyQNQWURAEKDXUOS-UHFFFAOYSA-N
XLogP5.90
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.41
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-ethenyl-2-(2-phenylphenyl)-6-prop-1-en-2-ylpyridine-3-carbaldehyde 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 5-ethenyl-2-(2-phenylphenyl)-6-prop-1-en-2-ylpyridine-3-carbaldehyde?
The IUPAC name of 5-ethenyl-2-(2-phenylphenyl)-6-prop-1-en-2-ylpyridine-3-carbaldehyde (CID 145483379) is 5-ethenyl-2-(2-phenylphenyl)-6-prop-1-en-2-ylpyridine-3-carbaldehyde.
What is the SMILES notation for 5-ethenyl-2-(2-phenylphenyl)-6-prop-1-en-2-ylpyridine-3-carbaldehyde?
The canonical SMILES for 5-ethenyl-2-(2-phenylphenyl)-6-prop-1-en-2-ylpyridine-3-carbaldehyde is C=Cc1cc(C=O)c(-c2ccccc2-c2ccccc2)nc1C(=C)C.
What is the InChIKey of 5-ethenyl-2-(2-phenylphenyl)-6-prop-1-en-2-ylpyridine-3-carbaldehyde?
The InChIKey is QNQWURAEKDXUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO/c1-4-17-14-19(15-25)23(24-22(17)16(2)3)21-13-9-8-12-20(21)18-10-6-5-7-11-18/h4-15H,1-2H2,3H3.
What are the key properties of 5-ethenyl-2-(2-phenylphenyl)-6-prop-1-en-2-ylpyridine-3-carbaldehyde?
5-ethenyl-2-(2-phenylphenyl)-6-prop-1-en-2-ylpyridine-3-carbaldehyde has a molecular weight of 325.41 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-(2-phenylphenyl)-6-prop-1-en-2-ylpyridine-3-carbaldehyde is sourced from PubChem (CID 145483379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).