(E)-3-(benzotriazol-1-yl)-1,5-diphenylpent-4-en-1-one

C23H19N3O — CID 53391597

IUPAC(E)-3-(benzotriazol-1-yl)-1,5-diphenylpent-4-en-1-one
SMILESO=C(CC(/C=C/c1ccccc1)n1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C23H19N3O/c27-23(19-11-5-2-6-12-19)17-20(16-15-18-9-3-1-4-10-18)26-22-14-8-7-13-21(22)24-25-26/h1-16,20H,17H2/b16-15+
InChIKeyTVKXFPXPDSSCHI-FOCLMDBBSA-N
MW353.43 g/mol
LogP4.96
Rot. Bonds6

About (E)-3-(benzotriazol-1-yl)-1,5-diphenylpent-4-en-1-one

(E)-3-(benzotriazol-1-yl)-1,5-diphenylpent-4-en-1-one (PubChem CID 53391597) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is (E)-3-(benzotriazol-1-yl)-1,5-diphenylpent-4-en-1-one.

Molecular Properties

Compound Name(E)-3-(benzotriazol-1-yl)-1,5-diphenylpent-4-en-1-one
PubChem CID53391597
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name(E)-3-(benzotriazol-1-yl)-1,5-diphenylpent-4-en-1-one
SMILESO=C(CC(/C=C/c1ccccc1)n1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C23H19N3O/c27-23(19-11-5-2-6-12-19)17-20(16-15-18-9-3-1-4-10-18)26-22-14-8-7-13-21(22)24-25-26/h1-16,20H,17H2/b16-15+
InChIKeyTVKXFPXPDSSCHI-FOCLMDBBSA-N
XLogP4.96
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(benzotriazol-1-yl)-1-phenylbutan-1-one
CID 139190791
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5-(benzotriazol-1-yl)-1-hydroxy-1-phenylhex-1-en-3-one
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(E)-1,5-diphenyl-3-(trifluoromethyl)pent-4-en-1-one
CID 102234820
N-[2-benzamido-1,2-bis(benzotriazol-1-yl)ethyl]benzamide
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1-(benzotriazol-1-yl)propyl benzoate
CID 3780036
N-[1-(benzotriazol-1-yl)ethyl]benzamide
CID 5121940
N-[1-(benzotriazol-1-yl)propyl]benzamide
CID 3733737
3-(benzotriazol-1-yl)-1-phenylpropan-1-one
CID 3759222
1-[phenyl(3-phenylprop-2-enoxy)methyl]benzotriazole
CID 4312375
2-(benzotriazol-1-yl)-2-carbazol-9-yl-1-phenylethanone
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2-[2-[benzotriazol-1-yl(phenyl)methyl]-1-benzothiophen-3-yl]-1-phenylethanone
CID 5211099

Frequently Asked Questions

What is the IUPAC name of (E)-3-(benzotriazol-1-yl)-1,5-diphenylpent-4-en-1-one?
The IUPAC name of (E)-3-(benzotriazol-1-yl)-1,5-diphenylpent-4-en-1-one (CID 53391597) is (E)-3-(benzotriazol-1-yl)-1,5-diphenylpent-4-en-1-one.
What is the SMILES notation for (E)-3-(benzotriazol-1-yl)-1,5-diphenylpent-4-en-1-one?
The canonical SMILES for (E)-3-(benzotriazol-1-yl)-1,5-diphenylpent-4-en-1-one is O=C(CC(/C=C/c1ccccc1)n1nnc2ccccc21)c1ccccc1.
What is the InChIKey of (E)-3-(benzotriazol-1-yl)-1,5-diphenylpent-4-en-1-one?
The InChIKey is TVKXFPXPDSSCHI-FOCLMDBBSA-N. The full InChI is InChI=1S/C23H19N3O/c27-23(19-11-5-2-6-12-19)17-20(16-15-18-9-3-1-4-10-18)26-22-14-8-7-13-21(22)24-25-26/h1-16,20H,17H2/b16-15+.
What are the key properties of (E)-3-(benzotriazol-1-yl)-1,5-diphenylpent-4-en-1-one?
(E)-3-(benzotriazol-1-yl)-1,5-diphenylpent-4-en-1-one has a molecular weight of 353.43 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(benzotriazol-1-yl)-1,5-diphenylpent-4-en-1-one is sourced from PubChem (CID 53391597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).