3,5-bis(4-formylphenyl)benzaldehyde

C21H14O3 — CID 141451191

IUPAC3,5-bis(4-formylphenyl)benzaldehyde
SMILESO=Cc1ccc(-c2cc(C=O)cc(-c3ccc(C=O)cc3)c2)cc1
InChIInChI=1S/C21H14O3/c22-12-15-1-5-18(6-2-15)20-9-17(14-24)10-21(11-20)19-7-3-16(13-23)4-8-19/h1-14H
InChIKeyKHAUIFXBTYZWBJ-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.46
Rot. Bonds5

About 3,5-bis(4-formylphenyl)benzaldehyde

3,5-bis(4-formylphenyl)benzaldehyde (PubChem CID 141451191) has the molecular formula C21H14O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 3,5-bis(4-formylphenyl)benzaldehyde.

Molecular Properties

Compound Name3,5-bis(4-formylphenyl)benzaldehyde
PubChem CID141451191
Molecular FormulaC21H14O3
Molecular Weight314.34 g/mol
Exact Mass314.09
IUPAC Name3,5-bis(4-formylphenyl)benzaldehyde
SMILESO=Cc1ccc(-c2cc(C=O)cc(-c3ccc(C=O)cc3)c2)cc1
InChIInChI=1S/C21H14O3/c22-12-15-1-5-18(6-2-15)20-9-17(14-24)10-21(11-20)19-7-3-16(13-23)4-8-19/h1-14H
InChIKeyKHAUIFXBTYZWBJ-UHFFFAOYSA-N
XLogP4.46
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,5-bis(4-formylphenyl)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(4-formylphenyl)phenyl]benzene-1,3-dicarbaldehyde
CID 146019858
acetylene;bicyclo[3.1.0]hexa-1(6),2,4-triene-3-carbaldehyde
CID 175350656
4-(3,5-difluorophenyl)benzaldehyde
CID 11367947
4-[4-[3,5-bis[4-(4-formylphenyl)phenyl]phenyl]phenyl]benzoic acid
CID 90463094
5-[4-[1,2,2-tris[4-(3,5-diformylphenyl)phenyl]ethenyl]phenyl]benzene-1,3-dicarbaldehyde
CID 166638041
4-[2-(4-azulen-2-ylphenyl)ethynyl]benzaldehyde
CID 53359467
4-(4-aminophenyl)benzaldehyde
CID 1393544
4-[4-(4-iodophenyl)phenyl]benzaldehyde
CID 58568967
4-(4-hydroxyphenyl)benzaldehyde
CID 2759299
4-[4-tris[4-(4-formylphenyl)phenyl]germylphenyl]benzaldehyde
CID 154407147
4-(3,5-dibromo-4-methylphenyl)benzaldehyde
CID 164893108
4-[4-[4-(4-formylphenyl)-N-[4-(4-formylphenyl)phenyl]anilino]phenyl]benzaldehyde
CID 59742159

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-formylphenyl)benzaldehyde?
The IUPAC name of 3,5-bis(4-formylphenyl)benzaldehyde (CID 141451191) is 3,5-bis(4-formylphenyl)benzaldehyde.
What is the SMILES notation for 3,5-bis(4-formylphenyl)benzaldehyde?
The canonical SMILES for 3,5-bis(4-formylphenyl)benzaldehyde is O=Cc1ccc(-c2cc(C=O)cc(-c3ccc(C=O)cc3)c2)cc1.
What is the InChIKey of 3,5-bis(4-formylphenyl)benzaldehyde?
The InChIKey is KHAUIFXBTYZWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O3/c22-12-15-1-5-18(6-2-15)20-9-17(14-24)10-21(11-20)19-7-3-16(13-23)4-8-19/h1-14H.
What are the key properties of 3,5-bis(4-formylphenyl)benzaldehyde?
3,5-bis(4-formylphenyl)benzaldehyde has a molecular weight of 314.34 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-formylphenyl)benzaldehyde is sourced from PubChem (CID 141451191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).