5-hydroxy-4-[4-(N-(4-phenylphenyl)anilino)phenyl]pent-1-en-3-one

C29H25NO2 — CID 67963753

IUPAC5-hydroxy-4-[4-(N-(4-phenylphenyl)anilino)phenyl]pent-1-en-3-one
SMILESC=CC(=O)C(CO)c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C29H25NO2/c1-2-29(32)28(21-31)24-15-19-27(20-16-24)30(25-11-7-4-8-12-25)26-17-13-23(14-18-26)22-9-5-3-6-10-22/h2-20,28,31H,1,21H2
InChIKeyKZHNDEBDVULBLW-UHFFFAOYSA-N
MW419.52 g/mol
LogP6.65
Rot. Bonds8

About 5-hydroxy-4-[4-(N-(4-phenylphenyl)anilino)phenyl]pent-1-en-3-one

5-hydroxy-4-[4-(N-(4-phenylphenyl)anilino)phenyl]pent-1-en-3-one (PubChem CID 67963753) has the molecular formula C29H25NO2 and a molecular weight of 419.52 g/mol. Its IUPAC name is 5-hydroxy-4-[4-(N-(4-phenylphenyl)anilino)phenyl]pent-1-en-3-one.

Molecular Properties

Compound Name5-hydroxy-4-[4-(N-(4-phenylphenyl)anilino)phenyl]pent-1-en-3-one
PubChem CID67963753
Molecular FormulaC29H25NO2
Molecular Weight419.52 g/mol
Exact Mass419.19
IUPAC Name5-hydroxy-4-[4-(N-(4-phenylphenyl)anilino)phenyl]pent-1-en-3-one
SMILESC=CC(=O)C(CO)c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C29H25NO2/c1-2-29(32)28(21-31)24-15-19-27(20-16-24)30(25-11-7-4-8-12-25)26-17-13-23(14-18-26)22-9-5-3-6-10-22/h2-20,28,31H,1,21H2
InChIKeyKZHNDEBDVULBLW-UHFFFAOYSA-N
XLogP6.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.52
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-hydroxy-4-[4-(N-(4-phenylphenyl)anilino)phenyl]pent-1-en-3-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

5-hydroxy-4-[4-[N-[4-(1-hydroxy-3-oxopent-4-en-2-yl)phenyl]-4-(1-phenylethyl)anilino]phenyl]pent-1-en-3-one
CID 89279226
4-(4-benzhydrylphenyl)-N,N-diphenylaniline
CID 58782687
N,N-diphenyl-4-[4-[phenyl-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]methyl]phenyl]aniline
CID 118359961
[4-[4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenyl] prop-2-enoate
CID 22089914
[4-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate
CID 58800639
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
1-N-phenyl-4-N,4-N-bis(4-phenylphenyl)-1-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 59742279
1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-[4-(N-(4-phenylphenyl)anilino)phenyl]pent-1-en-3-one?
The IUPAC name of 5-hydroxy-4-[4-(N-(4-phenylphenyl)anilino)phenyl]pent-1-en-3-one (CID 67963753) is 5-hydroxy-4-[4-(N-(4-phenylphenyl)anilino)phenyl]pent-1-en-3-one.
What is the SMILES notation for 5-hydroxy-4-[4-(N-(4-phenylphenyl)anilino)phenyl]pent-1-en-3-one?
The canonical SMILES for 5-hydroxy-4-[4-(N-(4-phenylphenyl)anilino)phenyl]pent-1-en-3-one is C=CC(=O)C(CO)c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 5-hydroxy-4-[4-(N-(4-phenylphenyl)anilino)phenyl]pent-1-en-3-one?
The InChIKey is KZHNDEBDVULBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO2/c1-2-29(32)28(21-31)24-15-19-27(20-16-24)30(25-11-7-4-8-12-25)26-17-13-23(14-18-26)22-9-5-3-6-10-22/h2-20,28,31H,1,21H2.
What are the key properties of 5-hydroxy-4-[4-(N-(4-phenylphenyl)anilino)phenyl]pent-1-en-3-one?
5-hydroxy-4-[4-(N-(4-phenylphenyl)anilino)phenyl]pent-1-en-3-one has a molecular weight of 419.52 g/mol, XLogP of 6.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-[4-(N-(4-phenylphenyl)anilino)phenyl]pent-1-en-3-one is sourced from PubChem (CID 67963753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).