1,2,5,5-tetraphenylpentane-1,4-dione

C29H24O2 — CID 134096157

IUPAC1,2,5,5-tetraphenylpentane-1,4-dione
SMILESO=C(c1ccccc1)C(CC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H24O2/c30-27(28(23-15-7-2-8-16-23)24-17-9-3-10-18-24)21-26(22-13-5-1-6-14-22)29(31)25-19-11-4-12-20-25/h1-20,26,28H,21H2
InChIKeyQMVOWIHRSWLBLQ-UHFFFAOYSA-N
MW404.51 g/mol
LogP6.44
Rot. Bonds8

About 1,2,5,5-tetraphenylpentane-1,4-dione

1,2,5,5-tetraphenylpentane-1,4-dione (PubChem CID 134096157) has the molecular formula C29H24O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 1,2,5,5-tetraphenylpentane-1,4-dione.

Molecular Properties

Compound Name1,2,5,5-tetraphenylpentane-1,4-dione
PubChem CID134096157
Molecular FormulaC29H24O2
Molecular Weight404.51 g/mol
Exact Mass404.18
IUPAC Name1,2,5,5-tetraphenylpentane-1,4-dione
SMILESO=C(c1ccccc1)C(CC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H24O2/c30-27(28(23-15-7-2-8-16-23)24-17-9-3-10-18-24)21-26(22-13-5-1-6-14-22)29(31)25-19-11-4-12-20-25/h1-20,26,28H,21H2
InChIKeyQMVOWIHRSWLBLQ-UHFFFAOYSA-N
XLogP6.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-diphenylpentane-1,4-dione
CID 13184730
(2R)-1-(4-chlorophenyl)-2,4-diphenylbutane-1,4-dione
CID 135053959
4-fluoro-1,2-diphenylbutan-1-one
CID 174928566
(4R)-4-methyl-1,1-diphenylhexane-2,5-dione
CID 159281542
1,1,5,5-tetraphenylpentane-2,4-dione
CID 22951899
(2S)-4-oxo-2,4-diphenylbutanoic acid
CID 6950859
(2R)-2-methyl-4-oxo-5,5-diphenylpentanamide
CID 162242633
dimethyl-[(2S)-3-oxo-2,3-diphenylpropyl]azanium
CID 6947215
4,4-dimethyl-1,2-diphenylpentan-1-one
CID 78133328
1-naphthalen-2-yl-2,4-diphenylbutane-1,4-dione
CID 102389148
(2R)-1-(4-hydroxyphenyl)-2-phenylbutan-1-one
CID 914909
dimethyl-(3-oxo-2,3-diphenylpropyl)azanium chloride
CID 10979125

Frequently Asked Questions

What is the IUPAC name of 1,2,5,5-tetraphenylpentane-1,4-dione?
The IUPAC name of 1,2,5,5-tetraphenylpentane-1,4-dione (CID 134096157) is 1,2,5,5-tetraphenylpentane-1,4-dione.
What is the SMILES notation for 1,2,5,5-tetraphenylpentane-1,4-dione?
The canonical SMILES for 1,2,5,5-tetraphenylpentane-1,4-dione is O=C(c1ccccc1)C(CC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,2,5,5-tetraphenylpentane-1,4-dione?
The InChIKey is QMVOWIHRSWLBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24O2/c30-27(28(23-15-7-2-8-16-23)24-17-9-3-10-18-24)21-26(22-13-5-1-6-14-22)29(31)25-19-11-4-12-20-25/h1-20,26,28H,21H2.
What are the key properties of 1,2,5,5-tetraphenylpentane-1,4-dione?
1,2,5,5-tetraphenylpentane-1,4-dione has a molecular weight of 404.51 g/mol, XLogP of 6.44, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,5-tetraphenylpentane-1,4-dione is sourced from PubChem (CID 134096157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).