6-(1-anilinoethylidene)-3,5-diphenylcyclohex-2-en-1-one

C26H23NO — CID 3911749

IUPAC6-(1-anilinoethylidene)-3,5-diphenylcyclohex-2-en-1-one
SMILESCC(Nc1ccccc1)=C1C(=O)C=C(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C26H23NO/c1-19(27-23-15-9-4-10-16-23)26-24(21-13-7-3-8-14-21)17-22(18-25(26)28)20-11-5-2-6-12-20/h2-16,18,24,27H,17H2,1H3
InChIKeyVNQUGQLVVCMIKX-UHFFFAOYSA-N
MW365.48 g/mol
LogP6.21
Rot. Bonds4

About 6-(1-anilinoethylidene)-3,5-diphenylcyclohex-2-en-1-one

6-(1-anilinoethylidene)-3,5-diphenylcyclohex-2-en-1-one (PubChem CID 3911749) has the molecular formula C26H23NO and a molecular weight of 365.48 g/mol. Its IUPAC name is 6-(1-anilinoethylidene)-3,5-diphenylcyclohex-2-en-1-one.

Molecular Properties

Compound Name6-(1-anilinoethylidene)-3,5-diphenylcyclohex-2-en-1-one
PubChem CID3911749
Molecular FormulaC26H23NO
Molecular Weight365.48 g/mol
Exact Mass365.18
IUPAC Name6-(1-anilinoethylidene)-3,5-diphenylcyclohex-2-en-1-one
SMILESCC(Nc1ccccc1)=C1C(=O)C=C(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C26H23NO/c1-19(27-23-15-9-4-10-16-23)26-24(21-13-7-3-8-14-21)17-22(18-25(26)28)20-11-5-2-6-12-20/h2-16,18,24,27H,17H2,1H3
InChIKeyVNQUGQLVVCMIKX-UHFFFAOYSA-N
XLogP6.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(1-anilinoethylidene)-3,5-diphenylcyclohex-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-6-(1-anilinoethylidene)-3,5-bis(furan-2-yl)cyclohex-2-en-1-one
CID 778175
3-phenyl-5-propan-2-ylidenecyclopent-2-en-1-one
CID 10888885
2,5-dioxo-N-phenylcyclopentane-1-carboxamide
CID 75388196
3-(4-hydroxyphenyl)-5-phenylcyclohex-2-en-1-one
CID 13109896
(4R)-3-methyl-4,6-diphenyl-4,5-dihydro-2H-indazole
CID 7237542
(5Z)-5-(1-anilinoethylidene)-4-methylidene-2,3-diphenylcyclopent-2-en-1-one
CID 10451361
4,6-diphenylcyclohexa-1,3-diene-1-carbaldehyde
CID 24859121
5-(3-methylphenyl)-3-(4-phenylphenyl)cyclohex-2-en-1-one
CID 11198540
cobalt;N-phenylacetamide
CID 158689050
3-oxo-N-phenyl-1,2-dihydroindene-1-carboxamide
CID 154839553
N-(4-phenylphenyl)acetamide
CID 19998
2-methyl-N-(4-methylphenyl)-4-oxo-6-phenylcyclohex-2-ene-1-carboxamide
CID 122395742

Frequently Asked Questions

What is the IUPAC name of 6-(1-anilinoethylidene)-3,5-diphenylcyclohex-2-en-1-one?
The IUPAC name of 6-(1-anilinoethylidene)-3,5-diphenylcyclohex-2-en-1-one (CID 3911749) is 6-(1-anilinoethylidene)-3,5-diphenylcyclohex-2-en-1-one.
What is the SMILES notation for 6-(1-anilinoethylidene)-3,5-diphenylcyclohex-2-en-1-one?
The canonical SMILES for 6-(1-anilinoethylidene)-3,5-diphenylcyclohex-2-en-1-one is CC(Nc1ccccc1)=C1C(=O)C=C(c2ccccc2)CC1c1ccccc1.
What is the InChIKey of 6-(1-anilinoethylidene)-3,5-diphenylcyclohex-2-en-1-one?
The InChIKey is VNQUGQLVVCMIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO/c1-19(27-23-15-9-4-10-16-23)26-24(21-13-7-3-8-14-21)17-22(18-25(26)28)20-11-5-2-6-12-20/h2-16,18,24,27H,17H2,1H3.
What are the key properties of 6-(1-anilinoethylidene)-3,5-diphenylcyclohex-2-en-1-one?
6-(1-anilinoethylidene)-3,5-diphenylcyclohex-2-en-1-one has a molecular weight of 365.48 g/mol, XLogP of 6.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-anilinoethylidene)-3,5-diphenylcyclohex-2-en-1-one is sourced from PubChem (CID 3911749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).