1,5-dibromo-2,4-bis(4-phenylphenyl)pentan-3-one

C29H24Br2O — CID 141048792

IUPAC1,5-dibromo-2,4-bis(4-phenylphenyl)pentan-3-one
SMILESO=C(C(CBr)c1ccc(-c2ccccc2)cc1)C(CBr)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H24Br2O/c30-19-27(25-15-11-23(12-16-25)21-7-3-1-4-8-21)29(32)28(20-31)26-17-13-24(14-18-26)22-9-5-2-6-10-22/h1-18,27-28H,19-20H2
InChIKeyFKTKUPUMPMCXQR-UHFFFAOYSA-N
MW548.32 g/mol
LogP8.25
Rot. Bonds8

About 1,5-dibromo-2,4-bis(4-phenylphenyl)pentan-3-one

1,5-dibromo-2,4-bis(4-phenylphenyl)pentan-3-one (PubChem CID 141048792) has the molecular formula C29H24Br2O and a molecular weight of 548.32 g/mol. Its IUPAC name is 1,5-dibromo-2,4-bis(4-phenylphenyl)pentan-3-one.

Molecular Properties

Compound Name1,5-dibromo-2,4-bis(4-phenylphenyl)pentan-3-one
PubChem CID141048792
Molecular FormulaC29H24Br2O
Molecular Weight548.32 g/mol
Exact Mass546.02
IUPAC Name1,5-dibromo-2,4-bis(4-phenylphenyl)pentan-3-one
SMILESO=C(C(CBr)c1ccc(-c2ccccc2)cc1)C(CBr)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H24Br2O/c30-19-27(25-15-11-23(12-16-25)21-7-3-1-4-8-21)29(32)28(20-31)26-17-13-24(14-18-26)22-9-5-2-6-10-22/h1-18,27-28H,19-20H2
InChIKeyFKTKUPUMPMCXQR-UHFFFAOYSA-N
XLogP8.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.32
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-phenylphenyl)butanoate
CID 86294889
2-bromo-1-(4-phenylphenyl)ethanol
CID 13479157
(1S)-2-bromo-1-(4-phenylphenyl)ethanol
CID 13479158
1-[(2R)-1-bromopropan-2-yl]-4-phenylbenzene
CID 124511270
(2S)-2-bromo-3-(4-phenylphenyl)pentanoic acid
CID 139912765
(3R)-1,3-diphenyl-3-(4-phenylphenyl)propan-1-one
CID 86338470
(2R)-2-phenyl-2-(4-phenylphenyl)acetic acid
CID 38989084
1,5-dibromo-2,4-bis(3-methylphenyl)pentan-3-one
CID 151406599
4-bromo-3-(4-methylphenyl)butan-2-one
CID 90423564
4,6-diphenylnona-1,8-dien-5-one
CID 69419927
1,1'-biphenyl;propanoyl bromide
CID 175328868
ethyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate
CID 885195

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-2,4-bis(4-phenylphenyl)pentan-3-one?
The IUPAC name of 1,5-dibromo-2,4-bis(4-phenylphenyl)pentan-3-one (CID 141048792) is 1,5-dibromo-2,4-bis(4-phenylphenyl)pentan-3-one.
What is the SMILES notation for 1,5-dibromo-2,4-bis(4-phenylphenyl)pentan-3-one?
The canonical SMILES for 1,5-dibromo-2,4-bis(4-phenylphenyl)pentan-3-one is O=C(C(CBr)c1ccc(-c2ccccc2)cc1)C(CBr)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,5-dibromo-2,4-bis(4-phenylphenyl)pentan-3-one?
The InChIKey is FKTKUPUMPMCXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24Br2O/c30-19-27(25-15-11-23(12-16-25)21-7-3-1-4-8-21)29(32)28(20-31)26-17-13-24(14-18-26)22-9-5-2-6-10-22/h1-18,27-28H,19-20H2.
What are the key properties of 1,5-dibromo-2,4-bis(4-phenylphenyl)pentan-3-one?
1,5-dibromo-2,4-bis(4-phenylphenyl)pentan-3-one has a molecular weight of 548.32 g/mol, XLogP of 8.25, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-2,4-bis(4-phenylphenyl)pentan-3-one is sourced from PubChem (CID 141048792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).