4,5-diphenylpenta-2,4-dienal

C17H14O — CID 54539333

IUPAC4,5-diphenylpenta-2,4-dienal
SMILESO=CC=CC(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H14O/c18-13-7-12-17(16-10-5-2-6-11-16)14-15-8-3-1-4-9-15/h1-14H
InChIKeyZBZYRDYRBOPWRN-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.98
Rot. Bonds4

About 4,5-diphenylpenta-2,4-dienal

4,5-diphenylpenta-2,4-dienal (PubChem CID 54539333) has the molecular formula C17H14O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4,5-diphenylpenta-2,4-dienal.

Molecular Properties

Compound Name4,5-diphenylpenta-2,4-dienal
PubChem CID54539333
Molecular FormulaC17H14O
Molecular Weight234.30 g/mol
Exact Mass234.10
IUPAC Name4,5-diphenylpenta-2,4-dienal
SMILESO=CC=CC(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H14O/c18-13-7-12-17(16-10-5-2-6-11-16)14-15-8-3-1-4-9-15/h1-14H
InChIKeyZBZYRDYRBOPWRN-UHFFFAOYSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.98
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-4,5-diphenylpenta-2,4-dienoic acid
CID 56927310
(2E,4Z)-4,5-diphenylpenta-2,4-dienoic acid
CID 56927311
4,5-diphenylpenta-2,4-dienoyl chloride
CID 54542291
[(1Z,3Z)-5-methyl-1-phenylhexa-1,3-dien-2-yl]benzene
CID 10901004
(2E,4Z)-4,5-diphenylpenta-2,4-dienoyl azide
CID 56927308
tert-butyl (2E,4Z)-4,5-diphenylpenta-2,4-dienoate
CID 56653095
(E)-2-(4-chlorophenyl)-3-phenylprop-2-enal
CID 86741984
(E)-3-(3-hydroxyphenyl)-2-phenylprop-2-enal
CID 82114899
2,5-diphenylpenta-2,4-dienal
CID 173316530
(E)-3-(3-chlorophenyl)-2-phenylprop-2-enal
CID 82117781
(Z)-2-(4-methoxyphenyl)-3-phenylprop-2-enal
CID 21283706
N-[4-(3,4-diphenylbuta-1,3-dienyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 54320320

Frequently Asked Questions

What is the IUPAC name of 4,5-diphenylpenta-2,4-dienal?
The IUPAC name of 4,5-diphenylpenta-2,4-dienal (CID 54539333) is 4,5-diphenylpenta-2,4-dienal.
What is the SMILES notation for 4,5-diphenylpenta-2,4-dienal?
The canonical SMILES for 4,5-diphenylpenta-2,4-dienal is O=CC=CC(=Cc1ccccc1)c1ccccc1.
What is the InChIKey of 4,5-diphenylpenta-2,4-dienal?
The InChIKey is ZBZYRDYRBOPWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O/c18-13-7-12-17(16-10-5-2-6-11-16)14-15-8-3-1-4-9-15/h1-14H.
What are the key properties of 4,5-diphenylpenta-2,4-dienal?
4,5-diphenylpenta-2,4-dienal has a molecular weight of 234.30 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenylpenta-2,4-dienal is sourced from PubChem (CID 54539333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).