methyl 3-(1,2-diphenylindol-3-yl)prop-2-enoate

C24H19NO2 — CID 169479953

IUPACmethyl 3-(1,2-diphenylindol-3-yl)prop-2-enoate
SMILESCOC(=O)C=Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C24H19NO2/c1-27-23(26)17-16-21-20-14-8-9-15-22(20)25(19-12-6-3-7-13-19)24(21)18-10-4-2-5-11-18/h2-17H,1H3
InChIKeyARJGPBLPDRWEGL-UHFFFAOYSA-N
MW353.42 g/mol
LogP5.48
Rot. Bonds4

About methyl 3-(1,2-diphenylindol-3-yl)prop-2-enoate

methyl 3-(1,2-diphenylindol-3-yl)prop-2-enoate (PubChem CID 169479953) has the molecular formula C24H19NO2 and a molecular weight of 353.42 g/mol. Its IUPAC name is methyl 3-(1,2-diphenylindol-3-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(1,2-diphenylindol-3-yl)prop-2-enoate
PubChem CID169479953
Molecular FormulaC24H19NO2
Molecular Weight353.42 g/mol
Exact Mass353.14
IUPAC Namemethyl 3-(1,2-diphenylindol-3-yl)prop-2-enoate
SMILESCOC(=O)C=Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C24H19NO2/c1-27-23(26)17-16-21-20-14-8-9-15-22(20)25(19-12-6-3-7-13-19)24(21)18-10-4-2-5-11-18/h2-17H,1H3
InChIKeyARJGPBLPDRWEGL-UHFFFAOYSA-N
XLogP5.48
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.42
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 3-(1,2-diphenylindol-3-yl)prop-2-enoate 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 3-[(E)-3-methoxy-3-oxoprop-1-enyl]-2-phenylindole-1-carboxylate
CID 11360053
methyl (E)-3-(2-formyl-1-methylindol-3-yl)prop-2-enoate
CID 14642760
(E)-2-cyano-3-(1,2-diphenylindol-3-yl)prop-2-enamide
CID 2361503
methyl 3-(1-benzyl-2-methylindol-3-yl)prop-2-enoate
CID 57270880
N-[(1,2-diphenylindol-3-yl)methylideneamino]-N-methylmethanamine
CID 2319936
methyl 3-(2-phenyl-1H-indol-3-yl)prop-2-enoate
CID 72733964
N-[(1,2-diphenylindol-3-yl)methylideneamino]benzenesulfonamide
CID 3485439
N-[(1,2-diphenylindol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 2308479
3-(1-methyl-2-phenylindol-3-yl)-1-phenylprop-2-en-1-one
CID 67199866
N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 146021708
2-(4-tert-butylphenoxy)-N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]acetamide
CID 6901775
methyl (E)-3-[1-(benzenesulfonyl)-2-benzylindol-3-yl]prop-2-enoate
CID 102479855

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1,2-diphenylindol-3-yl)prop-2-enoate?
The IUPAC name of methyl 3-(1,2-diphenylindol-3-yl)prop-2-enoate (CID 169479953) is methyl 3-(1,2-diphenylindol-3-yl)prop-2-enoate.
What is the SMILES notation for methyl 3-(1,2-diphenylindol-3-yl)prop-2-enoate?
The canonical SMILES for methyl 3-(1,2-diphenylindol-3-yl)prop-2-enoate is COC(=O)C=Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12.
What is the InChIKey of methyl 3-(1,2-diphenylindol-3-yl)prop-2-enoate?
The InChIKey is ARJGPBLPDRWEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO2/c1-27-23(26)17-16-21-20-14-8-9-15-22(20)25(19-12-6-3-7-13-19)24(21)18-10-4-2-5-11-18/h2-17H,1H3.
What are the key properties of methyl 3-(1,2-diphenylindol-3-yl)prop-2-enoate?
methyl 3-(1,2-diphenylindol-3-yl)prop-2-enoate has a molecular weight of 353.42 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1,2-diphenylindol-3-yl)prop-2-enoate is sourced from PubChem (CID 169479953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).