4-[(Z)-2-(5-phenyl-2-pyridinyl)ethenyl]benzaldehyde

C20H15NO — CID 101496464

IUPAC4-[(Z)-2-(5-phenyl-2-pyridinyl)ethenyl]benzaldehyde
SMILESO=Cc1ccc(/C=C\c2ccc(-c3ccccc3)cn2)cc1
InChIInChI=1S/C20H15NO/c22-15-17-8-6-16(7-9-17)10-12-20-13-11-19(14-21-20)18-4-2-1-3-5-18/h1-15H/b12-10-
InChIKeyNYBIYEDXVXXSJZ-BENRWUELSA-N
MW285.35 g/mol
LogP4.73
Rot. Bonds4

About 4-[(Z)-2-(5-phenyl-2-pyridinyl)ethenyl]benzaldehyde

4-[(Z)-2-(5-phenyl-2-pyridinyl)ethenyl]benzaldehyde (PubChem CID 101496464) has the molecular formula C20H15NO and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-[(Z)-2-(5-phenyl-2-pyridinyl)ethenyl]benzaldehyde.

Molecular Properties

Compound Name4-[(Z)-2-(5-phenyl-2-pyridinyl)ethenyl]benzaldehyde
PubChem CID101496464
Molecular FormulaC20H15NO
Molecular Weight285.35 g/mol
Exact Mass285.12
IUPAC Name4-[(Z)-2-(5-phenyl-2-pyridinyl)ethenyl]benzaldehyde
SMILESO=Cc1ccc(/C=C\c2ccc(-c3ccccc3)cn2)cc1
InChIInChI=1S/C20H15NO/c22-15-17-8-6-16(7-9-17)10-12-20-13-11-19(14-21-20)18-4-2-1-3-5-18/h1-15H/b12-10-
InChIKeyNYBIYEDXVXXSJZ-BENRWUELSA-N
XLogP4.73
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-(5-phenyl-2-pyridinyl)ethenyl]benzaldehyde?
The IUPAC name of 4-[(Z)-2-(5-phenyl-2-pyridinyl)ethenyl]benzaldehyde (CID 101496464) is 4-[(Z)-2-(5-phenyl-2-pyridinyl)ethenyl]benzaldehyde.
What is the SMILES notation for 4-[(Z)-2-(5-phenyl-2-pyridinyl)ethenyl]benzaldehyde?
The canonical SMILES for 4-[(Z)-2-(5-phenyl-2-pyridinyl)ethenyl]benzaldehyde is O=Cc1ccc(/C=C\c2ccc(-c3ccccc3)cn2)cc1.
What is the InChIKey of 4-[(Z)-2-(5-phenyl-2-pyridinyl)ethenyl]benzaldehyde?
The InChIKey is NYBIYEDXVXXSJZ-BENRWUELSA-N. The full InChI is InChI=1S/C20H15NO/c22-15-17-8-6-16(7-9-17)10-12-20-13-11-19(14-21-20)18-4-2-1-3-5-18/h1-15H/b12-10-.
What are the key properties of 4-[(Z)-2-(5-phenyl-2-pyridinyl)ethenyl]benzaldehyde?
4-[(Z)-2-(5-phenyl-2-pyridinyl)ethenyl]benzaldehyde has a molecular weight of 285.35 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-(5-phenyl-2-pyridinyl)ethenyl]benzaldehyde is sourced from PubChem (CID 101496464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).