2,4,4-triphenylbuta-2,3-dienal

C22H16O — CID 11982143

IUPAC2,4,4-triphenylbuta-2,3-dienal
SMILESO=CC(=C=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H16O/c23-17-21(18-10-4-1-5-11-18)16-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,17H
InChIKeyOPAQAPQEOGPDRN-UHFFFAOYSA-N
MW296.37 g/mol
LogP5.00
Rot. Bonds4

About 2,4,4-triphenylbuta-2,3-dienal

2,4,4-triphenylbuta-2,3-dienal (PubChem CID 11982143) has the molecular formula C22H16O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2,4,4-triphenylbuta-2,3-dienal.

Molecular Properties

Compound Name2,4,4-triphenylbuta-2,3-dienal
PubChem CID11982143
Molecular FormulaC22H16O
Molecular Weight296.37 g/mol
Exact Mass296.12
IUPAC Name2,4,4-triphenylbuta-2,3-dienal
SMILESO=CC(=C=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H16O/c23-17-21(18-10-4-1-5-11-18)16-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,17H
InChIKeyOPAQAPQEOGPDRN-UHFFFAOYSA-N
XLogP5.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2,4,4-triphenylbuta-2,3-dienal 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

1,3,3-triphenyl(1,2,3-13C3)propa-1,2-dienylbenzene
CID 15621535
2,4,4-triphenylbuta-2,3-dienamide
CID 134922971
diphenylmethanone;hydron;fluoride
CID 21465824
(3-ethyl-1-phenylpenta-1,2-dienyl)benzene
CID 134977921
2-phenylbuta-1,3-diene-1,4-dione
CID 86181605
[3-(benzenesulfonyl)-1,3-diphenylpropa-1,2-dienyl]benzene
CID 122210442
diphenylmethanone
CID 3102
2,2-diphenylethenylidenetungsten
CID 11081645
(1-phenyl-2-sulfinylethenyl)benzene
CID 134893268
S-(3-oxoprop-1-en-2-yl) benzenecarbothioate
CID 101469440
5,5-diphenylpenta-2,3,4-trienoic acid
CID 88605109
diphenylmethanone;gold
CID 174931146

Frequently Asked Questions

What is the IUPAC name of 2,4,4-triphenylbuta-2,3-dienal?
The IUPAC name of 2,4,4-triphenylbuta-2,3-dienal (CID 11982143) is 2,4,4-triphenylbuta-2,3-dienal.
What is the SMILES notation for 2,4,4-triphenylbuta-2,3-dienal?
The canonical SMILES for 2,4,4-triphenylbuta-2,3-dienal is O=CC(=C=C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 2,4,4-triphenylbuta-2,3-dienal?
The InChIKey is OPAQAPQEOGPDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O/c23-17-21(18-10-4-1-5-11-18)16-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,17H.
What are the key properties of 2,4,4-triphenylbuta-2,3-dienal?
2,4,4-triphenylbuta-2,3-dienal has a molecular weight of 296.37 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-triphenylbuta-2,3-dienal is sourced from PubChem (CID 11982143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).