(1E,4E)-1,5-dinaphthalen-2-ylpenta-1,4-dien-3-one

C25H18O — CID 5373324

IUPAC(1E,4E)-1,5-dinaphthalen-2-ylpenta-1,4-dien-3-one
SMILESO=C(/C=C/c1ccc2ccccc2c1)/C=C/c1ccc2ccccc2c1
InChIInChI=1S/C25H18O/c26-25(15-11-19-9-13-21-5-1-3-7-23(21)17-19)16-12-20-10-14-22-6-2-4-8-24(22)18-20/h1-18H/b15-11+,16-12+
InChIKeyCKKPHXZAMHRIFO-JOBJLJCHSA-N
MW334.42 g/mol
LogP6.29
Rot. Bonds4

About (1E,4E)-1,5-dinaphthalen-2-ylpenta-1,4-dien-3-one

(1E,4E)-1,5-dinaphthalen-2-ylpenta-1,4-dien-3-one (PubChem CID 5373324) has the molecular formula C25H18O and a molecular weight of 334.42 g/mol. Its IUPAC name is (1E,4E)-1,5-dinaphthalen-2-ylpenta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4E)-1,5-dinaphthalen-2-ylpenta-1,4-dien-3-one
PubChem CID5373324
Molecular FormulaC25H18O
Molecular Weight334.42 g/mol
Exact Mass334.14
IUPAC Name(1E,4E)-1,5-dinaphthalen-2-ylpenta-1,4-dien-3-one
SMILESO=C(/C=C/c1ccc2ccccc2c1)/C=C/c1ccc2ccccc2c1
InChIInChI=1S/C25H18O/c26-25(15-11-19-9-13-21-5-1-3-7-23(21)17-19)16-12-20-10-14-22-6-2-4-8-24(22)18-20/h1-18H/b15-11+,16-12+
InChIKeyCKKPHXZAMHRIFO-JOBJLJCHSA-N
XLogP6.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,4E)-1,5-dinaphthalen-2-ylpenta-1,4-dien-3-one?
The IUPAC name of (1E,4E)-1,5-dinaphthalen-2-ylpenta-1,4-dien-3-one (CID 5373324) is (1E,4E)-1,5-dinaphthalen-2-ylpenta-1,4-dien-3-one.
What is the SMILES notation for (1E,4E)-1,5-dinaphthalen-2-ylpenta-1,4-dien-3-one?
The canonical SMILES for (1E,4E)-1,5-dinaphthalen-2-ylpenta-1,4-dien-3-one is O=C(/C=C/c1ccc2ccccc2c1)/C=C/c1ccc2ccccc2c1.
What is the InChIKey of (1E,4E)-1,5-dinaphthalen-2-ylpenta-1,4-dien-3-one?
The InChIKey is CKKPHXZAMHRIFO-JOBJLJCHSA-N. The full InChI is InChI=1S/C25H18O/c26-25(15-11-19-9-13-21-5-1-3-7-23(21)17-19)16-12-20-10-14-22-6-2-4-8-24(22)18-20/h1-18H/b15-11+,16-12+.
What are the key properties of (1E,4E)-1,5-dinaphthalen-2-ylpenta-1,4-dien-3-one?
(1E,4E)-1,5-dinaphthalen-2-ylpenta-1,4-dien-3-one has a molecular weight of 334.42 g/mol, XLogP of 6.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1,5-dinaphthalen-2-ylpenta-1,4-dien-3-one is sourced from PubChem (CID 5373324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).