5-[4-(4-formylphenyl)phenyl]benzene-1,3-dicarbaldehyde

C21H14O3 — CID 146019858

IUPAC5-[4-(4-formylphenyl)phenyl]benzene-1,3-dicarbaldehyde
SMILESO=Cc1ccc(-c2ccc(-c3cc(C=O)cc(C=O)c3)cc2)cc1
InChIInChI=1S/C21H14O3/c22-12-15-1-3-18(4-2-15)19-5-7-20(8-6-19)21-10-16(13-23)9-17(11-21)14-24/h1-14H
InChIKeyQYUKMPLKLCBUKK-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.46
Rot. Bonds5

About 5-[4-(4-formylphenyl)phenyl]benzene-1,3-dicarbaldehyde

5-[4-(4-formylphenyl)phenyl]benzene-1,3-dicarbaldehyde (PubChem CID 146019858) has the molecular formula C21H14O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 5-[4-(4-formylphenyl)phenyl]benzene-1,3-dicarbaldehyde.

Molecular Properties

Compound Name5-[4-(4-formylphenyl)phenyl]benzene-1,3-dicarbaldehyde
PubChem CID146019858
Molecular FormulaC21H14O3
Molecular Weight314.34 g/mol
Exact Mass314.09
IUPAC Name5-[4-(4-formylphenyl)phenyl]benzene-1,3-dicarbaldehyde
SMILESO=Cc1ccc(-c2ccc(-c3cc(C=O)cc(C=O)c3)cc2)cc1
InChIInChI=1S/C21H14O3/c22-12-15-1-3-18(4-2-15)19-5-7-20(8-6-19)21-10-16(13-23)9-17(11-21)14-24/h1-14H
InChIKeyQYUKMPLKLCBUKK-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'}

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Related Compounds

3,5-bis(4-formylphenyl)benzaldehyde
CID 141451191
5-[4-[1,2,2-tris[4-(3,5-diformylphenyl)phenyl]ethenyl]phenyl]benzene-1,3-dicarbaldehyde
CID 166638041
4-(3,5-difluorophenyl)benzaldehyde
CID 11367947
acetylene;bicyclo[3.1.0]hexa-1(6),2,4-triene-3-carbaldehyde
CID 175350656
4-(4-aminophenyl)benzaldehyde
CID 1393544
4-(4-hydroxyphenyl)benzaldehyde
CID 2759299
4-[4-(4-iodophenyl)phenyl]benzaldehyde
CID 58568967
4-[4-tris[4-(4-formylphenyl)phenyl]germylphenyl]benzaldehyde
CID 154407147
4-(3,5-dibromo-4-methylphenyl)benzaldehyde
CID 164893108
4-[4-[3,5-bis[4-(4-formylphenyl)phenyl]phenyl]phenyl]benzoic acid
CID 90463094
4-[4-[4-(4-formylphenyl)-N-[4-(4-formylphenyl)phenyl]anilino]phenyl]benzaldehyde
CID 59742159
3-(4-bromophenyl)-5-iodobenzaldehyde
CID 139260528

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-formylphenyl)phenyl]benzene-1,3-dicarbaldehyde?
The IUPAC name of 5-[4-(4-formylphenyl)phenyl]benzene-1,3-dicarbaldehyde (CID 146019858) is 5-[4-(4-formylphenyl)phenyl]benzene-1,3-dicarbaldehyde.
What is the SMILES notation for 5-[4-(4-formylphenyl)phenyl]benzene-1,3-dicarbaldehyde?
The canonical SMILES for 5-[4-(4-formylphenyl)phenyl]benzene-1,3-dicarbaldehyde is O=Cc1ccc(-c2ccc(-c3cc(C=O)cc(C=O)c3)cc2)cc1.
What is the InChIKey of 5-[4-(4-formylphenyl)phenyl]benzene-1,3-dicarbaldehyde?
The InChIKey is QYUKMPLKLCBUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O3/c22-12-15-1-3-18(4-2-15)19-5-7-20(8-6-19)21-10-16(13-23)9-17(11-21)14-24/h1-14H.
What are the key properties of 5-[4-(4-formylphenyl)phenyl]benzene-1,3-dicarbaldehyde?
5-[4-(4-formylphenyl)phenyl]benzene-1,3-dicarbaldehyde 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 5-[4-(4-formylphenyl)phenyl]benzene-1,3-dicarbaldehyde is sourced from PubChem (CID 146019858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).