4-(2,6-diphenyl-4-pyridinyl)benzaldehyde

C24H17NO — CID 15529647

IUPAC4-(2,6-diphenyl-4-pyridinyl)benzaldehyde
SMILESO=Cc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1
InChIInChI=1S/C24H17NO/c26-17-18-11-13-19(14-12-18)22-15-23(20-7-3-1-4-8-20)25-24(16-22)21-9-5-2-6-10-21/h1-17H
InChIKeyRTOHCCYOJRERIL-UHFFFAOYSA-N
MW335.41 g/mol
LogP5.90
Rot. Bonds4

About 4-(2,6-diphenyl-4-pyridinyl)benzaldehyde

4-(2,6-diphenyl-4-pyridinyl)benzaldehyde (PubChem CID 15529647) has the molecular formula C24H17NO and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-(2,6-diphenyl-4-pyridinyl)benzaldehyde.

Molecular Properties

Compound Name4-(2,6-diphenyl-4-pyridinyl)benzaldehyde
PubChem CID15529647
Molecular FormulaC24H17NO
Molecular Weight335.41 g/mol
Exact Mass335.13
IUPAC Name4-(2,6-diphenyl-4-pyridinyl)benzaldehyde
SMILESO=Cc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1
InChIInChI=1S/C24H17NO/c26-17-18-11-13-19(14-12-18)22-15-23(20-7-3-1-4-8-20)25-24(16-22)21-9-5-2-6-10-21/h1-17H
InChIKeyRTOHCCYOJRERIL-UHFFFAOYSA-N
XLogP5.90
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.41
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2,6-diphenyl-4-pyridinyl)benzaldehyde 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-(2,6-diphenyl-4-pyridinyl)benzaldehyde?
The IUPAC name of 4-(2,6-diphenyl-4-pyridinyl)benzaldehyde (CID 15529647) is 4-(2,6-diphenyl-4-pyridinyl)benzaldehyde.
What is the SMILES notation for 4-(2,6-diphenyl-4-pyridinyl)benzaldehyde?
The canonical SMILES for 4-(2,6-diphenyl-4-pyridinyl)benzaldehyde is O=Cc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1.
What is the InChIKey of 4-(2,6-diphenyl-4-pyridinyl)benzaldehyde?
The InChIKey is RTOHCCYOJRERIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO/c26-17-18-11-13-19(14-12-18)22-15-23(20-7-3-1-4-8-20)25-24(16-22)21-9-5-2-6-10-21/h1-17H.
What are the key properties of 4-(2,6-diphenyl-4-pyridinyl)benzaldehyde?
4-(2,6-diphenyl-4-pyridinyl)benzaldehyde has a molecular weight of 335.41 g/mol, XLogP of 5.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-diphenyl-4-pyridinyl)benzaldehyde is sourced from PubChem (CID 15529647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).