5,5-diphenylpenta-2,3,4-trienoic acid

C17H12O2 — CID 88605109

IUPAC5,5-diphenylpenta-2,3,4-trienoic acid
SMILESO=C(O)C=C=C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H12O2/c18-17(19)13-7-12-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,13H,(H,18,19)
InChIKeyPWKKMRCAIFPFDA-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.51
Rot. Bonds3

About 5,5-diphenylpenta-2,3,4-trienoic acid

5,5-diphenylpenta-2,3,4-trienoic acid (PubChem CID 88605109) has the molecular formula C17H12O2 and a molecular weight of 248.28 g/mol. Its IUPAC name is 5,5-diphenylpenta-2,3,4-trienoic acid.

Molecular Properties

Compound Name5,5-diphenylpenta-2,3,4-trienoic acid
PubChem CID88605109
Molecular FormulaC17H12O2
Molecular Weight248.28 g/mol
Exact Mass248.08
IUPAC Name5,5-diphenylpenta-2,3,4-trienoic acid
SMILESO=C(O)C=C=C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H12O2/c18-17(19)13-7-12-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,13H,(H,18,19)
InChIKeyPWKKMRCAIFPFDA-UHFFFAOYSA-N
XLogP3.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5,5-diphenylpenta-2,3,4-trienoate
CID 25260452
1,3,3-triphenyl(1,2,3-13C3)propa-1,2-dienylbenzene
CID 15621535
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
(3-oxo-3-phenylprop-1-enylidene)azanide
CID 101031134
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione;iron
CID 70488368
diphenylmethanone
CID 3102
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
2,4,4-triphenylbuta-2,3-dienal
CID 11982143
1-chloro-4-[6-(4-chlorophenyl)-1,6-diphenylhexa-1,2,3,4,5-pentaenyl]benzene
CID 134977772

Frequently Asked Questions

What is the IUPAC name of 5,5-diphenylpenta-2,3,4-trienoic acid?
The IUPAC name of 5,5-diphenylpenta-2,3,4-trienoic acid (CID 88605109) is 5,5-diphenylpenta-2,3,4-trienoic acid.
What is the SMILES notation for 5,5-diphenylpenta-2,3,4-trienoic acid?
The canonical SMILES for 5,5-diphenylpenta-2,3,4-trienoic acid is O=C(O)C=C=C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 5,5-diphenylpenta-2,3,4-trienoic acid?
The InChIKey is PWKKMRCAIFPFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O2/c18-17(19)13-7-12-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,13H,(H,18,19).
What are the key properties of 5,5-diphenylpenta-2,3,4-trienoic acid?
5,5-diphenylpenta-2,3,4-trienoic acid has a molecular weight of 248.28 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diphenylpenta-2,3,4-trienoic acid is sourced from PubChem (CID 88605109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).