(E)-4-[4-[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]phenyl]-1,5-diphenylpent-3-en-2-one

C40H34O2 — CID 155301097

IUPAC(E)-4-[4-[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]phenyl]-1,5-diphenylpent-3-en-2-one
SMILESO=C(/C=C(\Cc1ccccc1)c1ccc(/C(=C/C(=O)Cc2ccccc2)Cc2ccccc2)cc1)Cc1ccccc1
InChIInChI=1S/C40H34O2/c41-39(27-33-17-9-3-10-18-33)29-37(25-31-13-5-1-6-14-31)35-21-23-36(24-22-35)38(26-32-15-7-2-8-16-32)30-40(42)28-34-19-11-4-12-20-34/h1-24,29-30H,25-28H2/b37-29+,38-30+
InChIKeyXNKQJZLBXJGROF-UDEUAJILSA-N
MW546.71 g/mol
LogP8.56
Rot. Bonds12

About (E)-4-[4-[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]phenyl]-1,5-diphenylpent-3-en-2-one

(E)-4-[4-[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]phenyl]-1,5-diphenylpent-3-en-2-one (PubChem CID 155301097) has the molecular formula C40H34O2 and a molecular weight of 546.71 g/mol. Its IUPAC name is (E)-4-[4-[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]phenyl]-1,5-diphenylpent-3-en-2-one.

Molecular Properties

Compound Name(E)-4-[4-[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]phenyl]-1,5-diphenylpent-3-en-2-one
PubChem CID155301097
Molecular FormulaC40H34O2
Molecular Weight546.71 g/mol
Exact Mass546.26
IUPAC Name(E)-4-[4-[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]phenyl]-1,5-diphenylpent-3-en-2-one
SMILESO=C(/C=C(\Cc1ccccc1)c1ccc(/C(=C/C(=O)Cc2ccccc2)Cc2ccccc2)cc1)Cc1ccccc1
InChIInChI=1S/C40H34O2/c41-39(27-33-17-9-3-10-18-33)29-37(25-31-13-5-1-6-14-31)35-21-23-36(24-22-35)38(26-32-15-7-2-8-16-32)30-40(42)28-34-19-11-4-12-20-34/h1-24,29-30H,25-28H2/b37-29+,38-30+
InChIKeyXNKQJZLBXJGROF-UDEUAJILSA-N
XLogP8.56
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.71
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-4-[4-[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]phenyl]-1,5-diphenylpent-3-en-2-one with MolForge

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Related Compounds

(E)-4-methyl-1,5-diphenylpent-3-en-2-one
CID 12877597
(Z)-4-hydroxy-5-methyl-1-phenylhex-3-en-2-one
CID 5376399
3-(3,4-dichlorophenyl)-4-phenylbut-2-enoic acid
CID 57110689
(Z)-4-[2-[[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]amino]ethylamino]-1,5-diphenylpent-3-en-2-one
CID 177397083
[(E)-1-phenylbut-2-en-2-yl]benzene
CID 6152777
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CID 54129851
1,3-diphenyl(213C)propan-2-one
CID 100945080
erbium;(2-phenylacetyl)azanide
CID 87733239
copper 2-phenylacetic acid
CID 54609410
2-phenylacetic acid;silver
CID 50912513
2-phenylacetic acid;dihydrate
CID 168967514
tris(2-phenylacetic acid);rhodium
CID 11168112

Frequently Asked Questions

What is the IUPAC name of (E)-4-[4-[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]phenyl]-1,5-diphenylpent-3-en-2-one?
The IUPAC name of (E)-4-[4-[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]phenyl]-1,5-diphenylpent-3-en-2-one (CID 155301097) is (E)-4-[4-[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]phenyl]-1,5-diphenylpent-3-en-2-one.
What is the SMILES notation for (E)-4-[4-[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]phenyl]-1,5-diphenylpent-3-en-2-one?
The canonical SMILES for (E)-4-[4-[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]phenyl]-1,5-diphenylpent-3-en-2-one is O=C(/C=C(\Cc1ccccc1)c1ccc(/C(=C/C(=O)Cc2ccccc2)Cc2ccccc2)cc1)Cc1ccccc1.
What is the InChIKey of (E)-4-[4-[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]phenyl]-1,5-diphenylpent-3-en-2-one?
The InChIKey is XNKQJZLBXJGROF-UDEUAJILSA-N. The full InChI is InChI=1S/C40H34O2/c41-39(27-33-17-9-3-10-18-33)29-37(25-31-13-5-1-6-14-31)35-21-23-36(24-22-35)38(26-32-15-7-2-8-16-32)30-40(42)28-34-19-11-4-12-20-34/h1-24,29-30H,25-28H2/b37-29+,38-30+.
What are the key properties of (E)-4-[4-[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]phenyl]-1,5-diphenylpent-3-en-2-one?
(E)-4-[4-[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]phenyl]-1,5-diphenylpent-3-en-2-one has a molecular weight of 546.71 g/mol, XLogP of 8.56, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[4-[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]phenyl]-1,5-diphenylpent-3-en-2-one is sourced from PubChem (CID 155301097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).