(1E,4E)-1-[4-[(1E,4E)-3-oxo-5-phenylpenta-1,4-dienyl]phenyl]-5-phenylpenta-1,4-dien-3-one

C28H22O2 — CID 6021352

IUPAC(1E,4E)-1-[4-[(1E,4E)-3-oxo-5-phenylpenta-1,4-dienyl]phenyl]-5-phenylpenta-1,4-dien-3-one
SMILESO=C(/C=C/c1ccccc1)/C=C/c1ccc(/C=C/C(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C28H22O2/c29-27(19-15-23-7-3-1-4-8-23)21-17-25-11-13-26(14-12-25)18-22-28(30)20-16-24-9-5-2-6-10-24/h1-22H/b19-15+,20-16+,21-17+,22-18+
InChIKeyAHEKEFUUCDXYPS-INFGCDKVSA-N
MW390.48 g/mol
LogP6.28
Rot. Bonds8

About (1E,4E)-1-[4-[(1E,4E)-3-oxo-5-phenylpenta-1,4-dienyl]phenyl]-5-phenylpenta-1,4-dien-3-one

(1E,4E)-1-[4-[(1E,4E)-3-oxo-5-phenylpenta-1,4-dienyl]phenyl]-5-phenylpenta-1,4-dien-3-one (PubChem CID 6021352) has the molecular formula C28H22O2 and a molecular weight of 390.48 g/mol. Its IUPAC name is (1E,4E)-1-[4-[(1E,4E)-3-oxo-5-phenylpenta-1,4-dienyl]phenyl]-5-phenylpenta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4E)-1-[4-[(1E,4E)-3-oxo-5-phenylpenta-1,4-dienyl]phenyl]-5-phenylpenta-1,4-dien-3-one
PubChem CID6021352
Molecular FormulaC28H22O2
Molecular Weight390.48 g/mol
Exact Mass390.16
IUPAC Name(1E,4E)-1-[4-[(1E,4E)-3-oxo-5-phenylpenta-1,4-dienyl]phenyl]-5-phenylpenta-1,4-dien-3-one
SMILESO=C(/C=C/c1ccccc1)/C=C/c1ccc(/C=C/C(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C28H22O2/c29-27(19-15-23-7-3-1-4-8-23)21-17-25-11-13-26(14-12-25)18-22-28(30)20-16-24-9-5-2-6-10-24/h1-22H/b19-15+,20-16+,21-17+,22-18+
InChIKeyAHEKEFUUCDXYPS-INFGCDKVSA-N
XLogP6.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[4-[(1E,4E)-3-oxo-5-phenylpenta-1,4-dienyl]phenyl]-5-phenylpenta-1,4-dien-3-one?
The IUPAC name of (1E,4E)-1-[4-[(1E,4E)-3-oxo-5-phenylpenta-1,4-dienyl]phenyl]-5-phenylpenta-1,4-dien-3-one (CID 6021352) is (1E,4E)-1-[4-[(1E,4E)-3-oxo-5-phenylpenta-1,4-dienyl]phenyl]-5-phenylpenta-1,4-dien-3-one.
What is the SMILES notation for (1E,4E)-1-[4-[(1E,4E)-3-oxo-5-phenylpenta-1,4-dienyl]phenyl]-5-phenylpenta-1,4-dien-3-one?
The canonical SMILES for (1E,4E)-1-[4-[(1E,4E)-3-oxo-5-phenylpenta-1,4-dienyl]phenyl]-5-phenylpenta-1,4-dien-3-one is O=C(/C=C/c1ccccc1)/C=C/c1ccc(/C=C/C(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of (1E,4E)-1-[4-[(1E,4E)-3-oxo-5-phenylpenta-1,4-dienyl]phenyl]-5-phenylpenta-1,4-dien-3-one?
The InChIKey is AHEKEFUUCDXYPS-INFGCDKVSA-N. The full InChI is InChI=1S/C28H22O2/c29-27(19-15-23-7-3-1-4-8-23)21-17-25-11-13-26(14-12-25)18-22-28(30)20-16-24-9-5-2-6-10-24/h1-22H/b19-15+,20-16+,21-17+,22-18+.
What are the key properties of (1E,4E)-1-[4-[(1E,4E)-3-oxo-5-phenylpenta-1,4-dienyl]phenyl]-5-phenylpenta-1,4-dien-3-one?
(1E,4E)-1-[4-[(1E,4E)-3-oxo-5-phenylpenta-1,4-dienyl]phenyl]-5-phenylpenta-1,4-dien-3-one has a molecular weight of 390.48 g/mol, XLogP of 6.28, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1-[4-[(1E,4E)-3-oxo-5-phenylpenta-1,4-dienyl]phenyl]-5-phenylpenta-1,4-dien-3-one is sourced from PubChem (CID 6021352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).