3-phenyl-2-[6-[5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]naphthalen-2-yl]oxypropanoic acid

C37H28F3NO3 — CID 11657221

IUPAC3-phenyl-2-[6-[5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]naphthalen-2-yl]oxypropanoic acid
SMILESO=C(O)C(Cc1ccccc1)Oc1ccc2cc(-c3ccc(-c4ccccc4)n3Cc3ccc(C(F)(F)F)cc3)ccc2c1
InChIInChI=1S/C37H28F3NO3/c38-37(39,40)31-16-11-26(12-17-31)24-41-33(27-9-5-2-6-10-27)19-20-34(41)30-14-13-29-23-32(18-15-28(29)22-30)44-35(36(42)43)21-25-7-3-1-4-8-25/h1-20,22-23,35H,21,24H2,(H,42,43)
InChIKeySVXUJSINGSVIPS-UHFFFAOYSA-N
MW591.63 g/mol
LogP9.12
Rot. Bonds9

About 3-phenyl-2-[6-[5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]naphthalen-2-yl]oxypropanoic acid

3-phenyl-2-[6-[5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]naphthalen-2-yl]oxypropanoic acid (PubChem CID 11657221) has the molecular formula C37H28F3NO3 and a molecular weight of 591.63 g/mol. Its IUPAC name is 3-phenyl-2-[6-[5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]naphthalen-2-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-phenyl-2-[6-[5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]naphthalen-2-yl]oxypropanoic acid
PubChem CID11657221
Molecular FormulaC37H28F3NO3
Molecular Weight591.63 g/mol
Exact Mass591.20
IUPAC Name3-phenyl-2-[6-[5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]naphthalen-2-yl]oxypropanoic acid
SMILESO=C(O)C(Cc1ccccc1)Oc1ccc2cc(-c3ccc(-c4ccccc4)n3Cc3ccc(C(F)(F)F)cc3)ccc2c1
InChIInChI=1S/C37H28F3NO3/c38-37(39,40)31-16-11-26(12-17-31)24-41-33(27-9-5-2-6-10-27)19-20-34(41)30-14-13-29-23-32(18-15-28(29)22-30)44-35(36(42)43)21-25-7-3-1-4-8-25/h1-20,22-23,35H,21,24H2,(H,42,43)
InChIKeySVXUJSINGSVIPS-UHFFFAOYSA-N
XLogP9.12
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.63
LogP ≤ 59.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-phenyl-2-[6-[5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]naphthalen-2-yl]oxypropanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[6-[5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]naphthalen-2-yl]oxypropanoic acid?
The IUPAC name of 3-phenyl-2-[6-[5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]naphthalen-2-yl]oxypropanoic acid (CID 11657221) is 3-phenyl-2-[6-[5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]naphthalen-2-yl]oxypropanoic acid.
What is the SMILES notation for 3-phenyl-2-[6-[5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]naphthalen-2-yl]oxypropanoic acid?
The canonical SMILES for 3-phenyl-2-[6-[5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]naphthalen-2-yl]oxypropanoic acid is O=C(O)C(Cc1ccccc1)Oc1ccc2cc(-c3ccc(-c4ccccc4)n3Cc3ccc(C(F)(F)F)cc3)ccc2c1.
What is the InChIKey of 3-phenyl-2-[6-[5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]naphthalen-2-yl]oxypropanoic acid?
The InChIKey is SVXUJSINGSVIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28F3NO3/c38-37(39,40)31-16-11-26(12-17-31)24-41-33(27-9-5-2-6-10-27)19-20-34(41)30-14-13-29-23-32(18-15-28(29)22-30)44-35(36(42)43)21-25-7-3-1-4-8-25/h1-20,22-23,35H,21,24H2,(H,42,43).
What are the key properties of 3-phenyl-2-[6-[5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]naphthalen-2-yl]oxypropanoic acid?
3-phenyl-2-[6-[5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]naphthalen-2-yl]oxypropanoic acid has a molecular weight of 591.63 g/mol, XLogP of 9.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[6-[5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]naphthalen-2-yl]oxypropanoic acid is sourced from PubChem (CID 11657221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).