1,1,1,4-tetraphenylbutan-2-one

C28H24O — CID 140502086

IUPAC1,1,1,4-tetraphenylbutan-2-one
SMILESO=C(CCc1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24O/c29-27(22-21-23-13-5-1-6-14-23)28(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2
InChIKeyLWIVBSWZZLXLLJ-UHFFFAOYSA-N
MW376.50 g/mol
LogP6.22
Rot. Bonds7

About 1,1,1,4-tetraphenylbutan-2-one

1,1,1,4-tetraphenylbutan-2-one (PubChem CID 140502086) has the molecular formula C28H24O and a molecular weight of 376.50 g/mol. Its IUPAC name is 1,1,1,4-tetraphenylbutan-2-one.

Molecular Properties

Compound Name1,1,1,4-tetraphenylbutan-2-one
PubChem CID140502086
Molecular FormulaC28H24O
Molecular Weight376.50 g/mol
Exact Mass376.18
IUPAC Name1,1,1,4-tetraphenylbutan-2-one
SMILESO=C(CCc1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24O/c29-27(22-21-23-13-5-1-6-14-23)28(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2
InChIKeyLWIVBSWZZLXLLJ-UHFFFAOYSA-N
XLogP6.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,4-tetraphenylbutan-2-one?
The IUPAC name of 1,1,1,4-tetraphenylbutan-2-one (CID 140502086) is 1,1,1,4-tetraphenylbutan-2-one.
What is the SMILES notation for 1,1,1,4-tetraphenylbutan-2-one?
The canonical SMILES for 1,1,1,4-tetraphenylbutan-2-one is O=C(CCc1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1,1,4-tetraphenylbutan-2-one?
The InChIKey is LWIVBSWZZLXLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O/c29-27(22-21-23-13-5-1-6-14-23)28(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2.
What are the key properties of 1,1,1,4-tetraphenylbutan-2-one?
1,1,1,4-tetraphenylbutan-2-one has a molecular weight of 376.50 g/mol, XLogP of 6.22, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4-tetraphenylbutan-2-one is sourced from PubChem (CID 140502086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).