(2E,4Z)-5-anilino-1,3,5-triphenylpenta-2,4-dien-1-one

C29H23NO — CID 162340783

IUPAC(2E,4Z)-5-anilino-1,3,5-triphenylpenta-2,4-dien-1-one
SMILESO=C(/C=C(\C=C(/Nc1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H23NO/c31-29(25-17-9-3-10-18-25)22-26(23-13-5-1-6-14-23)21-28(24-15-7-2-8-16-24)30-27-19-11-4-12-20-27/h1-22,30H/b26-22+,28-21-
InChIKeyZBAJSMRTJQTESK-OSJAGNGRSA-N
MW401.51 g/mol
LogP7.11
Rot. Bonds7

About (2E,4Z)-5-anilino-1,3,5-triphenylpenta-2,4-dien-1-one

(2E,4Z)-5-anilino-1,3,5-triphenylpenta-2,4-dien-1-one (PubChem CID 162340783) has the molecular formula C29H23NO and a molecular weight of 401.51 g/mol. Its IUPAC name is (2E,4Z)-5-anilino-1,3,5-triphenylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4Z)-5-anilino-1,3,5-triphenylpenta-2,4-dien-1-one
PubChem CID162340783
Molecular FormulaC29H23NO
Molecular Weight401.51 g/mol
Exact Mass401.18
IUPAC Name(2E,4Z)-5-anilino-1,3,5-triphenylpenta-2,4-dien-1-one
SMILESO=C(/C=C(\C=C(/Nc1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H23NO/c31-29(25-17-9-3-10-18-25)22-26(23-13-5-1-6-14-23)21-28(24-15-7-2-8-16-24)30-27-19-11-4-12-20-27/h1-22,30H/b26-22+,28-21-
InChIKeyZBAJSMRTJQTESK-OSJAGNGRSA-N
XLogP7.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4Z)-5-anilino-1,3,5-triphenylpenta-2,4-dien-1-one with MolForge

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Related Compounds

(Z)-3-anilino-3-phenyl-1-(4-phenylphenyl)prop-2-en-1-one
CID 51356633
(E)-3-anilino-1-(4-methylphenyl)-3-phenylprop-2-en-1-one
CID 22305442
(Z)-1,3-diphenyl-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one
CID 53385273
1,3,5-triphenylhexa-2,4-dien-1-one
CID 628086
3-(4-methoxyanilino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 4672353
(E)-3-(2-bromoanilino)-1,3-diphenylprop-2-en-1-one
CID 15112394
methyl 2-anilino-4-oxo-4-phenylbut-2-enoate
CID 790046
(E)-4-oxo-N,4-diphenylbut-2-enamide
CID 12588042
(2Z,4Z)-5-(dimethylamino)-1,3,5-triphenylpenta-2,4-dien-1-one
CID 13495526
(Z)-3-(methylamino)-N,3-diphenylprop-2-enamide
CID 25157764
bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc
CID 5369713
(Z)-3-anilino-1-(4-methylphenyl)-3-methylsulfanylprop-2-en-1-one
CID 13238136

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-5-anilino-1,3,5-triphenylpenta-2,4-dien-1-one?
The IUPAC name of (2E,4Z)-5-anilino-1,3,5-triphenylpenta-2,4-dien-1-one (CID 162340783) is (2E,4Z)-5-anilino-1,3,5-triphenylpenta-2,4-dien-1-one.
What is the SMILES notation for (2E,4Z)-5-anilino-1,3,5-triphenylpenta-2,4-dien-1-one?
The canonical SMILES for (2E,4Z)-5-anilino-1,3,5-triphenylpenta-2,4-dien-1-one is O=C(/C=C(\C=C(/Nc1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (2E,4Z)-5-anilino-1,3,5-triphenylpenta-2,4-dien-1-one?
The InChIKey is ZBAJSMRTJQTESK-OSJAGNGRSA-N. The full InChI is InChI=1S/C29H23NO/c31-29(25-17-9-3-10-18-25)22-26(23-13-5-1-6-14-23)21-28(24-15-7-2-8-16-24)30-27-19-11-4-12-20-27/h1-22,30H/b26-22+,28-21-.
What are the key properties of (2E,4Z)-5-anilino-1,3,5-triphenylpenta-2,4-dien-1-one?
(2E,4Z)-5-anilino-1,3,5-triphenylpenta-2,4-dien-1-one has a molecular weight of 401.51 g/mol, XLogP of 7.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-5-anilino-1,3,5-triphenylpenta-2,4-dien-1-one is sourced from PubChem (CID 162340783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).