(E)-1-phenyl-3-(4-phenyldiazenylanilino)prop-2-en-1-one

C21H17N3O — CID 39346357

IUPAC(E)-1-phenyl-3-(4-phenyldiazenylanilino)prop-2-en-1-one
SMILESO=C(/C=C/Nc1ccc(/N=N/c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C21H17N3O/c25-21(17-7-3-1-4-8-17)15-16-22-18-11-13-20(14-12-18)24-23-19-9-5-2-6-10-19/h1-16,22H/b16-15+,24-23+
InChIKeyCJHWTYVEIFQMQR-CABHBREESA-N
MW327.39 g/mol
LogP5.91
Rot. Bonds6

About (E)-1-phenyl-3-(4-phenyldiazenylanilino)prop-2-en-1-one

(E)-1-phenyl-3-(4-phenyldiazenylanilino)prop-2-en-1-one (PubChem CID 39346357) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is (E)-1-phenyl-3-(4-phenyldiazenylanilino)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-phenyl-3-(4-phenyldiazenylanilino)prop-2-en-1-one
PubChem CID39346357
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name(E)-1-phenyl-3-(4-phenyldiazenylanilino)prop-2-en-1-one
SMILESO=C(/C=C/Nc1ccc(/N=N/c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C21H17N3O/c25-21(17-7-3-1-4-8-17)15-16-22-18-11-13-20(14-12-18)24-23-19-9-5-2-6-10-19/h1-16,22H/b16-15+,24-23+
InChIKeyCJHWTYVEIFQMQR-CABHBREESA-N
XLogP5.91
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.39
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(4-methoxyphenyl)-3-(4-phenyldiazenylanilino)prop-2-en-1-one
CID 39346380
(E)-3-(4-anilinoanilino)-1-phenylprop-2-en-1-one
CID 126187883
(E)-3-(4-bromoanilino)-1-phenylprop-2-en-1-one
CID 2244710
methyl 4-[(3-oxo-3-phenylprop-1-enyl)amino]benzoate
CID 870651
(Z)-3-[4-(benzenesulfonyl)anilino]-1-phenylprop-2-en-1-one
CID 26457725
(E)-3-anilino-1-(4-phenylphenyl)prop-2-en-1-one
CID 39346527
3-(4-methylanilino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 2917270
(E)-1-phenyl-3-(4-phenyldiazenylanilino)but-2-en-1-one
CID 39428563
(E)-3-anilino-1-(4-tert-butylphenyl)prop-2-en-1-one
CID 139030211
(E)-3-(4-methylanilino)-1-(4-methylphenyl)prop-2-en-1-one
CID 2267437
(Z)-3-[(2-methyl-1,3-benzodioxol-5-yl)amino]-1-phenylprop-2-en-1-one
CID 139527893
(E)-1-(4-methylphenyl)-3-(4-phenoxyanilino)prop-2-en-1-one
CID 17088000

Frequently Asked Questions

What is the IUPAC name of (E)-1-phenyl-3-(4-phenyldiazenylanilino)prop-2-en-1-one?
The IUPAC name of (E)-1-phenyl-3-(4-phenyldiazenylanilino)prop-2-en-1-one (CID 39346357) is (E)-1-phenyl-3-(4-phenyldiazenylanilino)prop-2-en-1-one.
What is the SMILES notation for (E)-1-phenyl-3-(4-phenyldiazenylanilino)prop-2-en-1-one?
The canonical SMILES for (E)-1-phenyl-3-(4-phenyldiazenylanilino)prop-2-en-1-one is O=C(/C=C/Nc1ccc(/N=N/c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of (E)-1-phenyl-3-(4-phenyldiazenylanilino)prop-2-en-1-one?
The InChIKey is CJHWTYVEIFQMQR-CABHBREESA-N. The full InChI is InChI=1S/C21H17N3O/c25-21(17-7-3-1-4-8-17)15-16-22-18-11-13-20(14-12-18)24-23-19-9-5-2-6-10-19/h1-16,22H/b16-15+,24-23+.
What are the key properties of (E)-1-phenyl-3-(4-phenyldiazenylanilino)prop-2-en-1-one?
(E)-1-phenyl-3-(4-phenyldiazenylanilino)prop-2-en-1-one has a molecular weight of 327.39 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenyl-3-(4-phenyldiazenylanilino)prop-2-en-1-one is sourced from PubChem (CID 39346357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).