(2E,4E)-1-(4-anilinophenyl)-5-phenylpenta-2,4-dien-1-one

C23H19NO — CID 171377751

IUPAC(2E,4E)-1-(4-anilinophenyl)-5-phenylpenta-2,4-dien-1-one
SMILESO=C(/C=C/C=C/c1ccccc1)c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C23H19NO/c25-23(14-8-7-11-19-9-3-1-4-10-19)20-15-17-22(18-16-20)24-21-12-5-2-6-13-21/h1-18,24H/b11-7+,14-8+
InChIKeyUAQSCPAYBPHTNP-HPIZBCMHSA-N
MW325.41 g/mol
LogP5.88
Rot. Bonds6

About (2E,4E)-1-(4-anilinophenyl)-5-phenylpenta-2,4-dien-1-one

(2E,4E)-1-(4-anilinophenyl)-5-phenylpenta-2,4-dien-1-one (PubChem CID 171377751) has the molecular formula C23H19NO and a molecular weight of 325.41 g/mol. Its IUPAC name is (2E,4E)-1-(4-anilinophenyl)-5-phenylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4E)-1-(4-anilinophenyl)-5-phenylpenta-2,4-dien-1-one
PubChem CID171377751
Molecular FormulaC23H19NO
Molecular Weight325.41 g/mol
Exact Mass325.15
IUPAC Name(2E,4E)-1-(4-anilinophenyl)-5-phenylpenta-2,4-dien-1-one
SMILESO=C(/C=C/C=C/c1ccccc1)c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C23H19NO/c25-23(14-8-7-11-19-9-3-1-4-10-19)20-15-17-22(18-16-20)24-21-12-5-2-6-13-21/h1-18,24H/b11-7+,14-8+
InChIKeyUAQSCPAYBPHTNP-HPIZBCMHSA-N
XLogP5.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.41
LogP ≤ 55.88
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'}

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Related Compounds

(2Z,4E)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
CID 54612350
(2E,4Z)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
CID 92526505
(2E,4E)-5-(4-hydroxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 134140486
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
(E)-3-(4-anilinoanilino)-1-phenylprop-2-en-1-one
CID 126187883
(1Z,3Z,6Z,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one
CID 51568438
(1E,3E,7E,9E)-1,10-diphenyldeca-1,3,7,9-tetraene-5,6-dione
CID 6152775
(2E,4E)-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 10539553
(E)-3-(4-anilinophenyl)prop-2-enal
CID 22717037
5-phenylpenta-2,4-dienoic acid;hydrochloride
CID 173012318
(Z)-4-oxo-4-[4-[(E)-3-phenylprop-2-enoyl]anilino]but-2-enoic acid
CID 11099271
N-hydroxy-7-phenylhepta-2,4,6-trienamide
CID 71362968

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1-(4-anilinophenyl)-5-phenylpenta-2,4-dien-1-one?
The IUPAC name of (2E,4E)-1-(4-anilinophenyl)-5-phenylpenta-2,4-dien-1-one (CID 171377751) is (2E,4E)-1-(4-anilinophenyl)-5-phenylpenta-2,4-dien-1-one.
What is the SMILES notation for (2E,4E)-1-(4-anilinophenyl)-5-phenylpenta-2,4-dien-1-one?
The canonical SMILES for (2E,4E)-1-(4-anilinophenyl)-5-phenylpenta-2,4-dien-1-one is O=C(/C=C/C=C/c1ccccc1)c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of (2E,4E)-1-(4-anilinophenyl)-5-phenylpenta-2,4-dien-1-one?
The InChIKey is UAQSCPAYBPHTNP-HPIZBCMHSA-N. The full InChI is InChI=1S/C23H19NO/c25-23(14-8-7-11-19-9-3-1-4-10-19)20-15-17-22(18-16-20)24-21-12-5-2-6-13-21/h1-18,24H/b11-7+,14-8+.
What are the key properties of (2E,4E)-1-(4-anilinophenyl)-5-phenylpenta-2,4-dien-1-one?
(2E,4E)-1-(4-anilinophenyl)-5-phenylpenta-2,4-dien-1-one has a molecular weight of 325.41 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-(4-anilinophenyl)-5-phenylpenta-2,4-dien-1-one is sourced from PubChem (CID 171377751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).