ethyl 4-[2-(2-phenyl-1H-indol-3-yl)phenyl]benzoate

C29H23NO2 — CID 11441462

IUPACethyl 4-[2-(2-phenyl-1H-indol-3-yl)phenyl]benzoate
SMILESCCOC(=O)c1ccc(-c2ccccc2-c2c(-c3ccccc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C29H23NO2/c1-2-32-29(31)22-18-16-20(17-19-22)23-12-6-7-13-24(23)27-25-14-8-9-15-26(25)30-28(27)21-10-4-3-5-11-21/h3-19,30H,2H2,1H3
InChIKeyWIUQTSKMNPNESP-UHFFFAOYSA-N
MW417.51 g/mol
LogP7.35
Rot. Bonds5

About ethyl 4-[2-(2-phenyl-1H-indol-3-yl)phenyl]benzoate

ethyl 4-[2-(2-phenyl-1H-indol-3-yl)phenyl]benzoate (PubChem CID 11441462) has the molecular formula C29H23NO2 and a molecular weight of 417.51 g/mol. Its IUPAC name is ethyl 4-[2-(2-phenyl-1H-indol-3-yl)phenyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-(2-phenyl-1H-indol-3-yl)phenyl]benzoate
PubChem CID11441462
Molecular FormulaC29H23NO2
Molecular Weight417.51 g/mol
Exact Mass417.17
IUPAC Nameethyl 4-[2-(2-phenyl-1H-indol-3-yl)phenyl]benzoate
SMILESCCOC(=O)c1ccc(-c2ccccc2-c2c(-c3ccccc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C29H23NO2/c1-2-32-29(31)22-18-16-20(17-19-22)23-12-6-7-13-24(23)27-25-14-8-9-15-26(25)30-28(27)21-10-4-3-5-11-21/h3-19,30H,2H2,1H3
InChIKeyWIUQTSKMNPNESP-UHFFFAOYSA-N
XLogP7.35
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethyl 4-[2-(2-phenyl-1H-indol-3-yl)phenyl]benzoate 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

ethyl 2,5-dimethyl-4-(2-phenyl-1H-indol-3-yl)furan-3-carboxylate
CID 10406161
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
2-amino-4-[2-(4-ethoxycarbonylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407671
methyl 4-[2-(4-methylphenyl)-1H-indol-3-yl]benzoate
CID 15528443
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-ethylbenzoate
CID 7775436
ethyl 4-(2-phosphanylphenyl)benzoate
CID 22374006
ethyl 4-azulen-2-ylbenzoate
CID 122206706
ethyl 4-[4-(N-[4-(4-ethoxycarbonylphenyl)phenyl]-4-phenylanilino)phenyl]benzoate
CID 14669998
methyl 4-[2-(4-methoxyphenyl)-1H-indol-3-yl]benzoate
CID 71517932
3-cyano-2-(4-ethoxycarbonylphenyl)-1H-indole-5-carboxylic acid
CID 91021319
ethyl 3-(hydroxymethyl)-4-phenylbenzoate
CID 175285758
ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate
CID 59266192

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2-phenyl-1H-indol-3-yl)phenyl]benzoate?
The IUPAC name of ethyl 4-[2-(2-phenyl-1H-indol-3-yl)phenyl]benzoate (CID 11441462) is ethyl 4-[2-(2-phenyl-1H-indol-3-yl)phenyl]benzoate.
What is the SMILES notation for ethyl 4-[2-(2-phenyl-1H-indol-3-yl)phenyl]benzoate?
The canonical SMILES for ethyl 4-[2-(2-phenyl-1H-indol-3-yl)phenyl]benzoate is CCOC(=O)c1ccc(-c2ccccc2-c2c(-c3ccccc3)[nH]c3ccccc23)cc1.
What is the InChIKey of ethyl 4-[2-(2-phenyl-1H-indol-3-yl)phenyl]benzoate?
The InChIKey is WIUQTSKMNPNESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO2/c1-2-32-29(31)22-18-16-20(17-19-22)23-12-6-7-13-24(23)27-25-14-8-9-15-26(25)30-28(27)21-10-4-3-5-11-21/h3-19,30H,2H2,1H3.
What are the key properties of ethyl 4-[2-(2-phenyl-1H-indol-3-yl)phenyl]benzoate?
ethyl 4-[2-(2-phenyl-1H-indol-3-yl)phenyl]benzoate has a molecular weight of 417.51 g/mol, XLogP of 7.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2-phenyl-1H-indol-3-yl)phenyl]benzoate is sourced from PubChem (CID 11441462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).