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

C29H24O2 — CID 22951899

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

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

1,1,5,5-tetraphenylpentane-2,4-dione (PubChem CID 22951899) has the molecular formula C29H24O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 1,1,5,5-tetraphenylpentane-2,4-dione.

Molecular Properties

Compound Name1,1,5,5-tetraphenylpentane-2,4-dione
PubChem CID22951899
Molecular FormulaC29H24O2
Molecular Weight404.51 g/mol
Exact Mass404.18
IUPAC Name1,1,5,5-tetraphenylpentane-2,4-dione
SMILESO=C(CC(=O)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H24O2/c30-26(28(22-13-5-1-6-14-22)23-15-7-2-8-16-23)21-27(31)29(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,28-29H,21H2
InChIKeyYNDXCSDQGOCKKL-UHFFFAOYSA-N
XLogP6.18
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 ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-1,1-diphenylpropan-2-one
CID 19419205
8-oxo-9,9-diphenylnonanoic acid
CID 58248727
4-hydroxy-1,1,4,4-tetraphenylbutan-2-one
CID 597415
(4R)-4-methyl-1,1-diphenylhexane-2,5-dione
CID 159281542
(2R)-2-methyl-4-oxo-5,5-diphenylpentanamide
CID 162242633
1,2,5,5-tetraphenylpentane-1,4-dione
CID 134096157
barium(2+);2,2-diphenylacetic acid;hydride
CID 174636718
lithium;2,2-diphenylacetic acid;hydride
CID 174648923
(2,2-diphenylacetyl)oxymethyl 2,2-diphenylacetate
CID 15332487
bis(2,2-diphenylacetyl)phosphinic acid
CID 159634764
5-methoxy-1,1-diphenylpentan-2-one
CID 115601489
3-(furan-2-yl)-1,1-diphenylpropan-2-one
CID 83171492

Frequently Asked Questions

What is the IUPAC name of 1,1,5,5-tetraphenylpentane-2,4-dione?
The IUPAC name of 1,1,5,5-tetraphenylpentane-2,4-dione (CID 22951899) is 1,1,5,5-tetraphenylpentane-2,4-dione.
What is the SMILES notation for 1,1,5,5-tetraphenylpentane-2,4-dione?
The canonical SMILES for 1,1,5,5-tetraphenylpentane-2,4-dione is O=C(CC(=O)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1,5,5-tetraphenylpentane-2,4-dione?
The InChIKey is YNDXCSDQGOCKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24O2/c30-26(28(22-13-5-1-6-14-22)23-15-7-2-8-16-23)21-27(31)29(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,28-29H,21H2.
What are the key properties of 1,1,5,5-tetraphenylpentane-2,4-dione?
1,1,5,5-tetraphenylpentane-2,4-dione has a molecular weight of 404.51 g/mol, XLogP of 6.18, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,5,5-tetraphenylpentane-2,4-dione is sourced from PubChem (CID 22951899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).