2-oxo-2-(2,3,4,6-tetraphenylphenyl)acetaldehyde

C32H22O2 — CID 88820261

IUPAC2-oxo-2-(2,3,4,6-tetraphenylphenyl)acetaldehyde
SMILESO=CC(=O)c1c(-c2ccccc2)cc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C32H22O2/c33-22-29(34)32-28(24-15-7-2-8-16-24)21-27(23-13-5-1-6-14-23)30(25-17-9-3-10-18-25)31(32)26-19-11-4-12-20-26/h1-22H
InChIKeyHREXSXRXNLKIKY-UHFFFAOYSA-N
MW438.53 g/mol
LogP7.74
Rot. Bonds6

About 2-oxo-2-(2,3,4,6-tetraphenylphenyl)acetaldehyde

2-oxo-2-(2,3,4,6-tetraphenylphenyl)acetaldehyde (PubChem CID 88820261) has the molecular formula C32H22O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 2-oxo-2-(2,3,4,6-tetraphenylphenyl)acetaldehyde.

Molecular Properties

Compound Name2-oxo-2-(2,3,4,6-tetraphenylphenyl)acetaldehyde
PubChem CID88820261
Molecular FormulaC32H22O2
Molecular Weight438.53 g/mol
Exact Mass438.16
IUPAC Name2-oxo-2-(2,3,4,6-tetraphenylphenyl)acetaldehyde
SMILESO=CC(=O)c1c(-c2ccccc2)cc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C32H22O2/c33-22-29(34)32-28(24-15-7-2-8-16-24)21-27(23-13-5-1-6-14-23)30(25-17-9-3-10-18-25)31(32)26-19-11-4-12-20-26/h1-22H
InChIKeyHREXSXRXNLKIKY-UHFFFAOYSA-N
XLogP7.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(2,3,4,6-tetraphenylphenyl)acetaldehyde?
The IUPAC name of 2-oxo-2-(2,3,4,6-tetraphenylphenyl)acetaldehyde (CID 88820261) is 2-oxo-2-(2,3,4,6-tetraphenylphenyl)acetaldehyde.
What is the SMILES notation for 2-oxo-2-(2,3,4,6-tetraphenylphenyl)acetaldehyde?
The canonical SMILES for 2-oxo-2-(2,3,4,6-tetraphenylphenyl)acetaldehyde is O=CC(=O)c1c(-c2ccccc2)cc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-oxo-2-(2,3,4,6-tetraphenylphenyl)acetaldehyde?
The InChIKey is HREXSXRXNLKIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22O2/c33-22-29(34)32-28(24-15-7-2-8-16-24)21-27(23-13-5-1-6-14-23)30(25-17-9-3-10-18-25)31(32)26-19-11-4-12-20-26/h1-22H.
What are the key properties of 2-oxo-2-(2,3,4,6-tetraphenylphenyl)acetaldehyde?
2-oxo-2-(2,3,4,6-tetraphenylphenyl)acetaldehyde has a molecular weight of 438.53 g/mol, XLogP of 7.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(2,3,4,6-tetraphenylphenyl)acetaldehyde is sourced from PubChem (CID 88820261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).