1-[4-[(E)-2-(4-acetylphenyl)-1,2-diphenylethenyl]phenyl]ethanone

C30H24O2 — CID 10669604

IUPAC1-[4-[(E)-2-(4-acetylphenyl)-1,2-diphenylethenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(/C(=C(\c2ccccc2)c2ccc(C(C)=O)cc2)c2ccccc2)cc1
InChIInChI=1S/C30H24O2/c1-21(31)23-13-17-27(18-14-23)29(25-9-5-3-6-10-25)30(26-11-7-4-8-12-26)28-19-15-24(16-20-28)22(2)32/h3-20H,1-2H3/b30-29+
InChIKeyPSKRHIKSVUYAPF-QVIHXGFCSA-N
MW416.52 g/mol
LogP7.10
Rot. Bonds6

About 1-[4-[(E)-2-(4-acetylphenyl)-1,2-diphenylethenyl]phenyl]ethanone

1-[4-[(E)-2-(4-acetylphenyl)-1,2-diphenylethenyl]phenyl]ethanone (PubChem CID 10669604) has the molecular formula C30H24O2 and a molecular weight of 416.52 g/mol. Its IUPAC name is 1-[4-[(E)-2-(4-acetylphenyl)-1,2-diphenylethenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(E)-2-(4-acetylphenyl)-1,2-diphenylethenyl]phenyl]ethanone
PubChem CID10669604
Molecular FormulaC30H24O2
Molecular Weight416.52 g/mol
Exact Mass416.18
IUPAC Name1-[4-[(E)-2-(4-acetylphenyl)-1,2-diphenylethenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(/C(=C(\c2ccccc2)c2ccc(C(C)=O)cc2)c2ccccc2)cc1
InChIInChI=1S/C30H24O2/c1-21(31)23-13-17-27(18-14-23)29(25-9-5-3-6-10-25)30(26-11-7-4-8-12-26)28-19-15-24(16-20-28)22(2)32/h3-20H,1-2H3/b30-29+
InChIKeyPSKRHIKSVUYAPF-QVIHXGFCSA-N
XLogP7.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
lithium 1-phenylethanone
CID 22269591
iron;1-phenylethanone
CID 70488357
potassium 1-phenylethanone
CID 19980201
acetic acid;1-phenylethanone
CID 159392478
1-phenylethanone;hydrate;hydrochloride
CID 21258111
ethane;1-phenylethanone;propan-2-one
CID 91456675
CID 173404741
CID 173404741
ethane;molecular hydrogen;1-phenylethanone
CID 143067772
CID 22025249
CID 22025249
1,1'-biphenyl;ethane;bis(1-phenylethanone)
CID 90714339
3-oxobutanoic acid;1-phenylethanone
CID 67450141

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-(4-acetylphenyl)-1,2-diphenylethenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(E)-2-(4-acetylphenyl)-1,2-diphenylethenyl]phenyl]ethanone (CID 10669604) is 1-[4-[(E)-2-(4-acetylphenyl)-1,2-diphenylethenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(E)-2-(4-acetylphenyl)-1,2-diphenylethenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(E)-2-(4-acetylphenyl)-1,2-diphenylethenyl]phenyl]ethanone is CC(=O)c1ccc(/C(=C(\c2ccccc2)c2ccc(C(C)=O)cc2)c2ccccc2)cc1.
What is the InChIKey of 1-[4-[(E)-2-(4-acetylphenyl)-1,2-diphenylethenyl]phenyl]ethanone?
The InChIKey is PSKRHIKSVUYAPF-QVIHXGFCSA-N. The full InChI is InChI=1S/C30H24O2/c1-21(31)23-13-17-27(18-14-23)29(25-9-5-3-6-10-25)30(26-11-7-4-8-12-26)28-19-15-24(16-20-28)22(2)32/h3-20H,1-2H3/b30-29+.
What are the key properties of 1-[4-[(E)-2-(4-acetylphenyl)-1,2-diphenylethenyl]phenyl]ethanone?
1-[4-[(E)-2-(4-acetylphenyl)-1,2-diphenylethenyl]phenyl]ethanone has a molecular weight of 416.52 g/mol, XLogP of 7.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-2-(4-acetylphenyl)-1,2-diphenylethenyl]phenyl]ethanone is sourced from PubChem (CID 10669604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).