3,4-bis(2-phenylphenyl)benzaldehyde

C31H22O — CID 141272209

IUPAC3,4-bis(2-phenylphenyl)benzaldehyde
SMILESO=Cc1ccc(-c2ccccc2-c2ccccc2)c(-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C31H22O/c32-22-23-19-20-30(28-17-9-7-15-26(28)24-11-3-1-4-12-24)31(21-23)29-18-10-8-16-27(29)25-13-5-2-6-14-25/h1-22H
InChIKeyBTOYGRPYHHAYHE-UHFFFAOYSA-N
MW410.52 g/mol
LogP8.17
Rot. Bonds5

About 3,4-bis(2-phenylphenyl)benzaldehyde

3,4-bis(2-phenylphenyl)benzaldehyde (PubChem CID 141272209) has the molecular formula C31H22O and a molecular weight of 410.52 g/mol. Its IUPAC name is 3,4-bis(2-phenylphenyl)benzaldehyde.

Molecular Properties

Compound Name3,4-bis(2-phenylphenyl)benzaldehyde
PubChem CID141272209
Molecular FormulaC31H22O
Molecular Weight410.52 g/mol
Exact Mass410.17
IUPAC Name3,4-bis(2-phenylphenyl)benzaldehyde
SMILESO=Cc1ccc(-c2ccccc2-c2ccccc2)c(-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C31H22O/c32-22-23-19-20-30(28-17-9-7-15-26(28)24-11-3-1-4-12-24)31(21-23)29-18-10-8-16-27(29)25-13-5-2-6-14-25/h1-22H
InChIKeyBTOYGRPYHHAYHE-UHFFFAOYSA-N
XLogP8.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,4-bis(2-phenylphenyl)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 3,4-bis(2-phenylphenyl)benzaldehyde?
The IUPAC name of 3,4-bis(2-phenylphenyl)benzaldehyde (CID 141272209) is 3,4-bis(2-phenylphenyl)benzaldehyde.
What is the SMILES notation for 3,4-bis(2-phenylphenyl)benzaldehyde?
The canonical SMILES for 3,4-bis(2-phenylphenyl)benzaldehyde is O=Cc1ccc(-c2ccccc2-c2ccccc2)c(-c2ccccc2-c2ccccc2)c1.
What is the InChIKey of 3,4-bis(2-phenylphenyl)benzaldehyde?
The InChIKey is BTOYGRPYHHAYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22O/c32-22-23-19-20-30(28-17-9-7-15-26(28)24-11-3-1-4-12-24)31(21-23)29-18-10-8-16-27(29)25-13-5-2-6-14-25/h1-22H.
What are the key properties of 3,4-bis(2-phenylphenyl)benzaldehyde?
3,4-bis(2-phenylphenyl)benzaldehyde has a molecular weight of 410.52 g/mol, XLogP of 8.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(2-phenylphenyl)benzaldehyde is sourced from PubChem (CID 141272209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).