1-phenyl-5-(N-phenylanilino)penta-2,4-diyn-1-one

C23H15NO — CID 101110338

IUPAC1-phenyl-5-(N-phenylanilino)penta-2,4-diyn-1-one
SMILESO=C(C#CC#CN(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H15NO/c25-23(20-12-4-1-5-13-20)18-10-11-19-24(21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17H
InChIKeyGFKBSCKXOGHIJN-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.67
Rot. Bonds3

About 1-phenyl-5-(N-phenylanilino)penta-2,4-diyn-1-one

1-phenyl-5-(N-phenylanilino)penta-2,4-diyn-1-one (PubChem CID 101110338) has the molecular formula C23H15NO and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-phenyl-5-(N-phenylanilino)penta-2,4-diyn-1-one.

Molecular Properties

Compound Name1-phenyl-5-(N-phenylanilino)penta-2,4-diyn-1-one
PubChem CID101110338
Molecular FormulaC23H15NO
Molecular Weight321.38 g/mol
Exact Mass321.12
IUPAC Name1-phenyl-5-(N-phenylanilino)penta-2,4-diyn-1-one
SMILESO=C(C#CC#CN(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H15NO/c25-23(20-12-4-1-5-13-20)18-10-11-19-24(21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17H
InChIKeyGFKBSCKXOGHIJN-UHFFFAOYSA-N
XLogP4.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-phenylpenta-2,4-diyn-1-one
CID 592950
4-(N-phenylanilino)but-3-yn-2-one
CID 12569706
1-phenyl-5-trimethylsilylpenta-2,4-diyn-1-one
CID 15953221
3-chloro-1-phenylprop-2-yn-1-one
CID 15335754
4-fluoro-1-phenylbut-2-yn-1-one
CID 67741597
3-methoxy-1-phenylprop-2-yn-1-one
CID 154279908
1-(4-methoxyphenyl)-3-(N-methylanilino)prop-2-yn-1-one
CID 15350488
1-phenylethanone;bis(yttrium)
CID 58212087
N-benzoyl-N-[4-(dibenzoylamino)phenyl]benzamide
CID 171577154
3-(4-hydroxyphenyl)-1-phenylprop-2-yn-1-one
CID 11481454
4-fluoro-1-phenylpent-2-yn-1-one
CID 73407849
diphenylmethanone;gold
CID 174931146

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-(N-phenylanilino)penta-2,4-diyn-1-one?
The IUPAC name of 1-phenyl-5-(N-phenylanilino)penta-2,4-diyn-1-one (CID 101110338) is 1-phenyl-5-(N-phenylanilino)penta-2,4-diyn-1-one.
What is the SMILES notation for 1-phenyl-5-(N-phenylanilino)penta-2,4-diyn-1-one?
The canonical SMILES for 1-phenyl-5-(N-phenylanilino)penta-2,4-diyn-1-one is O=C(C#CC#CN(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-5-(N-phenylanilino)penta-2,4-diyn-1-one?
The InChIKey is GFKBSCKXOGHIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO/c25-23(20-12-4-1-5-13-20)18-10-11-19-24(21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17H.
What are the key properties of 1-phenyl-5-(N-phenylanilino)penta-2,4-diyn-1-one?
1-phenyl-5-(N-phenylanilino)penta-2,4-diyn-1-one has a molecular weight of 321.38 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-(N-phenylanilino)penta-2,4-diyn-1-one is sourced from PubChem (CID 101110338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).