2,3-dibenzoylbenzaldehyde

C21H14O3 — CID 54496315

IUPAC2,3-dibenzoylbenzaldehyde
SMILESO=Cc1cccc(C(=O)c2ccccc2)c1C(=O)c1ccccc1
InChIInChI=1S/C21H14O3/c22-14-17-12-7-13-18(20(23)15-8-3-1-4-9-15)19(17)21(24)16-10-5-2-6-11-16/h1-14H
InChIKeyBDLRXCYMTDUGNP-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.96
Rot. Bonds5

About 2,3-dibenzoylbenzaldehyde

2,3-dibenzoylbenzaldehyde (PubChem CID 54496315) has the molecular formula C21H14O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2,3-dibenzoylbenzaldehyde.

Molecular Properties

Compound Name2,3-dibenzoylbenzaldehyde
PubChem CID54496315
Molecular FormulaC21H14O3
Molecular Weight314.34 g/mol
Exact Mass314.09
IUPAC Name2,3-dibenzoylbenzaldehyde
SMILESO=Cc1cccc(C(=O)c2ccccc2)c1C(=O)c1ccccc1
InChIInChI=1S/C21H14O3/c22-14-17-12-7-13-18(20(23)15-8-3-1-4-9-15)19(17)21(24)16-10-5-2-6-11-16/h1-14H
InChIKeyBDLRXCYMTDUGNP-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
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

1-(2-acetyl-3-benzoylphenyl)ethanone
CID 19898396
3,4-dibenzoylphthalic acid
CID 22269446
2-(3-fluorobenzoyl)benzaldehyde
CID 175472655
aluminum tris(2-carboxy-6-formylphenolate)
CID 173060925
2-benzoyl-6-phenylbenzoic acid
CID 174388121
[2-benzoyl-3,4-bis(2,3-dibenzoylphenyl)phenyl]-phenylmethanone
CID 68746067
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
diphenylmethanone
CID 3102
5-benzoylbenzene-1,2,3,4-tetracarboxylic acid
CID 19877064
3-ethenyl-2-(4-ethenylbenzoyl)benzaldehyde
CID 23209302
2-formyl-6-phenylbenzoic acid
CID 18003803
2-(1,2-diphenylethenyl)benzaldehyde
CID 87999369

Frequently Asked Questions

What is the IUPAC name of 2,3-dibenzoylbenzaldehyde?
The IUPAC name of 2,3-dibenzoylbenzaldehyde (CID 54496315) is 2,3-dibenzoylbenzaldehyde.
What is the SMILES notation for 2,3-dibenzoylbenzaldehyde?
The canonical SMILES for 2,3-dibenzoylbenzaldehyde is O=Cc1cccc(C(=O)c2ccccc2)c1C(=O)c1ccccc1.
What is the InChIKey of 2,3-dibenzoylbenzaldehyde?
The InChIKey is BDLRXCYMTDUGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O3/c22-14-17-12-7-13-18(20(23)15-8-3-1-4-9-15)19(17)21(24)16-10-5-2-6-11-16/h1-14H.
What are the key properties of 2,3-dibenzoylbenzaldehyde?
2,3-dibenzoylbenzaldehyde has a molecular weight of 314.34 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibenzoylbenzaldehyde is sourced from PubChem (CID 54496315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).