2,5-diphenylpenta-2,4-dienal

C17H14O — CID 173316530

IUPAC2,5-diphenylpenta-2,4-dienal
SMILESO=CC(=CC=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H14O/c18-14-17(16-11-5-2-6-12-16)13-7-10-15-8-3-1-4-9-15/h1-14H
InChIKeyNMKYHKHTKJRUMQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.98
Rot. Bonds4

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

2,5-diphenylpenta-2,4-dienal (PubChem CID 173316530) has the molecular formula C17H14O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2,5-diphenylpenta-2,4-dienal.

Molecular Properties

Compound Name2,5-diphenylpenta-2,4-dienal
PubChem CID173316530
Molecular FormulaC17H14O
Molecular Weight234.30 g/mol
Exact Mass234.10
IUPAC Name2,5-diphenylpenta-2,4-dienal
SMILESO=CC(=CC=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H14O/c18-14-17(16-11-5-2-6-12-16)13-7-10-15-8-3-1-4-9-15/h1-14H
InChIKeyNMKYHKHTKJRUMQ-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'}

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Related Compounds

[(1E,3E)-4-phenylhexa-1,3,5-trienyl]benzene
CID 14747138
[(1Z,3E)-4-phenylhexa-1,3,5-trienyl]benzene
CID 145204139
(2Z,4E)-2,5-diphenylpenta-2,4-dienoic acid
CID 6108389
1-(4,4-diphenylbuta-1,3-dienyl)-4-(4-phenylbuta-1,3-dienyl)benzene
CID 173138979
1-(1,4,13,15,18-pentakis-phenyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-6-yl)-4-phenylbenzene
CID 123910239
2-phenylbut-2-enal;hydrate
CID 172778769
3-chloro-2-phenylprop-2-enal
CID 85438099
4-methylpenta-1,3-dienylbenzene
CID 3614395
1-chloro-4-phenylbuta-1,3-dien-1-ol
CID 88848274
4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
[(1E,3Z)-4-phenylhexa-1,3-dien-5-ynyl]benzene
CID 100974511

Frequently Asked Questions

What is the IUPAC name of 2,5-diphenylpenta-2,4-dienal?
The IUPAC name of 2,5-diphenylpenta-2,4-dienal (CID 173316530) is 2,5-diphenylpenta-2,4-dienal.
What is the SMILES notation for 2,5-diphenylpenta-2,4-dienal?
The canonical SMILES for 2,5-diphenylpenta-2,4-dienal is O=CC(=CC=Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2,5-diphenylpenta-2,4-dienal?
The InChIKey is NMKYHKHTKJRUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O/c18-14-17(16-11-5-2-6-12-16)13-7-10-15-8-3-1-4-9-15/h1-14H.
What are the key properties of 2,5-diphenylpenta-2,4-dienal?
2,5-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 2,5-diphenylpenta-2,4-dienal is sourced from PubChem (CID 173316530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).