2-[2-(furan-2-yl)-5-naphthalen-1-yl-3-phenylpyrrol-1-yl]acetic acid

C26H19NO3 — CID 118709998

IUPAC2-[2-(furan-2-yl)-5-naphthalen-1-yl-3-phenylpyrrol-1-yl]acetic acid
SMILESO=C(O)Cn1c(-c2cccc3ccccc23)cc(-c2ccccc2)c1-c1ccco1
InChIInChI=1S/C26H19NO3/c28-25(29)17-27-23(21-13-6-11-18-10-4-5-12-20(18)21)16-22(19-8-2-1-3-9-19)26(27)24-14-7-15-30-24/h1-16H,17H2,(H,28,29)
InChIKeyAJEUYOFOXBBURO-UHFFFAOYSA-N
MW393.44 g/mol
LogP6.32
Rot. Bonds5

About 2-[2-(furan-2-yl)-5-naphthalen-1-yl-3-phenylpyrrol-1-yl]acetic acid

2-[2-(furan-2-yl)-5-naphthalen-1-yl-3-phenylpyrrol-1-yl]acetic acid (PubChem CID 118709998) has the molecular formula C26H19NO3 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-5-naphthalen-1-yl-3-phenylpyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-5-naphthalen-1-yl-3-phenylpyrrol-1-yl]acetic acid
PubChem CID118709998
Molecular FormulaC26H19NO3
Molecular Weight393.44 g/mol
Exact Mass393.14
IUPAC Name2-[2-(furan-2-yl)-5-naphthalen-1-yl-3-phenylpyrrol-1-yl]acetic acid
SMILESO=C(O)Cn1c(-c2cccc3ccccc23)cc(-c2ccccc2)c1-c1ccco1
InChIInChI=1S/C26H19NO3/c28-25(29)17-27-23(21-13-6-11-18-10-4-5-12-20(18)21)16-22(19-8-2-1-3-9-19)26(27)24-14-7-15-30-24/h1-16H,17H2,(H,28,29)
InChIKeyAJEUYOFOXBBURO-UHFFFAOYSA-N
XLogP6.32
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.44
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(furan-2-yl)-5-naphthalen-1-yl-3-phenylpyrrol-1-yl]acetic 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 2-[2-(furan-2-yl)-5-naphthalen-1-yl-3-phenylpyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-(furan-2-yl)-5-naphthalen-1-yl-3-phenylpyrrol-1-yl]acetic acid (CID 118709998) is 2-[2-(furan-2-yl)-5-naphthalen-1-yl-3-phenylpyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(furan-2-yl)-5-naphthalen-1-yl-3-phenylpyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(furan-2-yl)-5-naphthalen-1-yl-3-phenylpyrrol-1-yl]acetic acid is O=C(O)Cn1c(-c2cccc3ccccc23)cc(-c2ccccc2)c1-c1ccco1.
What is the InChIKey of 2-[2-(furan-2-yl)-5-naphthalen-1-yl-3-phenylpyrrol-1-yl]acetic acid?
The InChIKey is AJEUYOFOXBBURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO3/c28-25(29)17-27-23(21-13-6-11-18-10-4-5-12-20(18)21)16-22(19-8-2-1-3-9-19)26(27)24-14-7-15-30-24/h1-16H,17H2,(H,28,29).
What are the key properties of 2-[2-(furan-2-yl)-5-naphthalen-1-yl-3-phenylpyrrol-1-yl]acetic acid?
2-[2-(furan-2-yl)-5-naphthalen-1-yl-3-phenylpyrrol-1-yl]acetic acid has a molecular weight of 393.44 g/mol, XLogP of 6.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-5-naphthalen-1-yl-3-phenylpyrrol-1-yl]acetic acid is sourced from PubChem (CID 118709998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).