3-[3-(3,5-diphenyl-2-propan-2-ylpyrrol-1-yl)phenyl]propanoic acid

C28H27NO2 — CID 24797913

IUPAC3-[3-(3,5-diphenyl-2-propan-2-ylpyrrol-1-yl)phenyl]propanoic acid
SMILESCC(C)c1c(-c2ccccc2)cc(-c2ccccc2)n1-c1cccc(CCC(=O)O)c1
InChIInChI=1S/C28H27NO2/c1-20(2)28-25(22-11-5-3-6-12-22)19-26(23-13-7-4-8-14-23)29(28)24-15-9-10-21(18-24)16-17-27(30)31/h3-15,18-20H,16-17H2,1-2H3,(H,30,31)
InChIKeyATGJWOVVAMFLEM-UHFFFAOYSA-N
MW409.53 g/mol
LogP6.95
Rot. Bonds7

About 3-[3-(3,5-diphenyl-2-propan-2-ylpyrrol-1-yl)phenyl]propanoic acid

3-[3-(3,5-diphenyl-2-propan-2-ylpyrrol-1-yl)phenyl]propanoic acid (PubChem CID 24797913) has the molecular formula C28H27NO2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 3-[3-(3,5-diphenyl-2-propan-2-ylpyrrol-1-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-(3,5-diphenyl-2-propan-2-ylpyrrol-1-yl)phenyl]propanoic acid
PubChem CID24797913
Molecular FormulaC28H27NO2
Molecular Weight409.53 g/mol
Exact Mass409.20
IUPAC Name3-[3-(3,5-diphenyl-2-propan-2-ylpyrrol-1-yl)phenyl]propanoic acid
SMILESCC(C)c1c(-c2ccccc2)cc(-c2ccccc2)n1-c1cccc(CCC(=O)O)c1
InChIInChI=1S/C28H27NO2/c1-20(2)28-25(22-11-5-3-6-12-22)19-26(23-13-7-4-8-14-23)29(28)24-15-9-10-21(18-24)16-17-27(30)31/h3-15,18-20H,16-17H2,1-2H3,(H,30,31)
InChIKeyATGJWOVVAMFLEM-UHFFFAOYSA-N
XLogP6.95
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

Analyze 3-[3-(3,5-diphenyl-2-propan-2-ylpyrrol-1-yl)phenyl]propanoic acid 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

3-[3-[2-(2,2-dimethylpropyl)-3,5-diphenylpyrrol-1-yl]phenyl]propanoic acid
CID 24798001
3-[3-[5-(3,4-dichlorophenyl)-2-methyl-3-phenylpyrrol-1-yl]phenyl]propanoic acid
CID 24797739
3-[3-(3-propan-2-yl-1,2,4-triazol-4-yl)phenyl]propanoic acid
CID 82514139
3-[3-(2-oxo-3-propan-2-ylimidazol-1-yl)phenyl]propanoic acid
CID 117438341
3-[3-(3-propan-2-ylimidazol-4-yl)phenyl]propanoic acid
CID 115054892
3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanoic acid
CID 82478484
3-[3-(3-methyl-2-oxoimidazol-1-yl)phenyl]propanoic acid
CID 117367558
3-[3-(propan-2-yloxycarbonylamino)phenyl]propanoic acid
CID 113290372
3-[3-(3-methyl-1,2,4-triazol-1-yl)phenyl]propanoic acid
CID 82513031
3-[3-[hydroxy-di(propan-2-yl)silyl]phenyl]propanoic acid
CID 91363751
3-[3-(2,5-dimethylphenyl)phenyl]propanoic acid
CID 82120152
3-(3-hydroxyphenyl)propanoic acid;3-phenylpropanoic acid
CID 175603484

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-diphenyl-2-propan-2-ylpyrrol-1-yl)phenyl]propanoic acid?
The IUPAC name of 3-[3-(3,5-diphenyl-2-propan-2-ylpyrrol-1-yl)phenyl]propanoic acid (CID 24797913) is 3-[3-(3,5-diphenyl-2-propan-2-ylpyrrol-1-yl)phenyl]propanoic acid.
What is the SMILES notation for 3-[3-(3,5-diphenyl-2-propan-2-ylpyrrol-1-yl)phenyl]propanoic acid?
The canonical SMILES for 3-[3-(3,5-diphenyl-2-propan-2-ylpyrrol-1-yl)phenyl]propanoic acid is CC(C)c1c(-c2ccccc2)cc(-c2ccccc2)n1-c1cccc(CCC(=O)O)c1.
What is the InChIKey of 3-[3-(3,5-diphenyl-2-propan-2-ylpyrrol-1-yl)phenyl]propanoic acid?
The InChIKey is ATGJWOVVAMFLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO2/c1-20(2)28-25(22-11-5-3-6-12-22)19-26(23-13-7-4-8-14-23)29(28)24-15-9-10-21(18-24)16-17-27(30)31/h3-15,18-20H,16-17H2,1-2H3,(H,30,31).
What are the key properties of 3-[3-(3,5-diphenyl-2-propan-2-ylpyrrol-1-yl)phenyl]propanoic acid?
3-[3-(3,5-diphenyl-2-propan-2-ylpyrrol-1-yl)phenyl]propanoic acid has a molecular weight of 409.53 g/mol, XLogP of 6.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-diphenyl-2-propan-2-ylpyrrol-1-yl)phenyl]propanoic acid is sourced from PubChem (CID 24797913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).