1,4,6-triphenylhex-5-yn-1-one

C24H20O — CID 166443450

IUPAC1,4,6-triphenylhex-5-yn-1-one
SMILESO=C(CCC(C#Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20O/c25-24(23-14-8-3-9-15-23)19-18-22(21-12-6-2-7-13-21)17-16-20-10-4-1-5-11-20/h1-15,22H,18-19H2
InChIKeyHYCGSHANDIMNQS-UHFFFAOYSA-N
MW324.42 g/mol
LogP5.49
Rot. Bonds5

About 1,4,6-triphenylhex-5-yn-1-one

1,4,6-triphenylhex-5-yn-1-one (PubChem CID 166443450) has the molecular formula C24H20O and a molecular weight of 324.42 g/mol. Its IUPAC name is 1,4,6-triphenylhex-5-yn-1-one.

Molecular Properties

Compound Name1,4,6-triphenylhex-5-yn-1-one
PubChem CID166443450
Molecular FormulaC24H20O
Molecular Weight324.42 g/mol
Exact Mass324.15
IUPAC Name1,4,6-triphenylhex-5-yn-1-one
SMILESO=C(CCC(C#Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20O/c25-24(23-14-8-3-9-15-23)19-18-22(21-12-6-2-7-13-21)17-16-20-10-4-1-5-11-20/h1-15,22H,18-19H2
InChIKeyHYCGSHANDIMNQS-UHFFFAOYSA-N
XLogP5.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.42
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromophenyl)-1,5-diphenylpent-4-yn-1-one
CID 71723905
(4R)-1,1-difluoro-4,6-diphenylhex-5-yn-2-one
CID 134949108
4-amino-1,4-diphenylbutan-1-one
CID 116570833
(5R)-5,7-diphenylhept-6-ynenitrile
CID 138911214
N-methyl-3,5-diphenylpent-4-ynamide
CID 135041577
6-(3-methylphenyl)-1-phenyl-4-(2,2,2-trifluoroethyl)hex-5-yn-1-one
CID 171060378
[(3R)-6-methoxy-1-phenylhex-1-yn-3-yl]benzene
CID 138911269
1-phenyl-4-[(3S)-7,7,7-trifluoro-1-phenylhept-1-yn-3-yl]benzene
CID 154720792
1-naphthalen-2-yl-6-phenyl-4-(2,2,2-trifluoroethyl)hex-5-yn-1-one
CID 171060339
1-phenylhex-5-en-1-yn-3-ylbenzene
CID 11183874
2-hydroxy-1,5-diphenylpentane-1,5-dione
CID 14316875
2-methyl-5-oxo-5-phenylpentanoic acid
CID 13462808

Frequently Asked Questions

What is the IUPAC name of 1,4,6-triphenylhex-5-yn-1-one?
The IUPAC name of 1,4,6-triphenylhex-5-yn-1-one (CID 166443450) is 1,4,6-triphenylhex-5-yn-1-one.
What is the SMILES notation for 1,4,6-triphenylhex-5-yn-1-one?
The canonical SMILES for 1,4,6-triphenylhex-5-yn-1-one is O=C(CCC(C#Cc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,4,6-triphenylhex-5-yn-1-one?
The InChIKey is HYCGSHANDIMNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O/c25-24(23-14-8-3-9-15-23)19-18-22(21-12-6-2-7-13-21)17-16-20-10-4-1-5-11-20/h1-15,22H,18-19H2.
What are the key properties of 1,4,6-triphenylhex-5-yn-1-one?
1,4,6-triphenylhex-5-yn-1-one has a molecular weight of 324.42 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-triphenylhex-5-yn-1-one is sourced from PubChem (CID 166443450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).