1-(3-pyrrol-1-ylphenyl)pyrrole

C14H12N2 — CID 91674731

IUPAC1-(3-pyrrol-1-ylphenyl)pyrrole
SMILESc1cc(-n2cccc2)cc(-n2cccc2)c1
InChIInChI=1S/C14H12N2/c1-2-9-15(8-1)13-6-5-7-14(12-13)16-10-3-4-11-16/h1-12H
InChIKeyJORPBRLAGIJRDY-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.27
Rot. Bonds2

About 1-(3-pyrrol-1-ylphenyl)pyrrole

1-(3-pyrrol-1-ylphenyl)pyrrole (PubChem CID 91674731) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(3-pyrrol-1-ylphenyl)pyrrole.

Molecular Properties

Compound Name1-(3-pyrrol-1-ylphenyl)pyrrole
PubChem CID91674731
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name1-(3-pyrrol-1-ylphenyl)pyrrole
SMILESc1cc(-n2cccc2)cc(-n2cccc2)c1
InChIInChI=1S/C14H12N2/c1-2-9-15(8-1)13-6-5-7-14(12-13)16-10-3-4-11-16/h1-12H
InChIKeyJORPBRLAGIJRDY-UHFFFAOYSA-N
XLogP3.27
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-pyrrol-1-ylphenyl)pyrrole 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 1-(3-pyrrol-1-ylphenyl)pyrrole?
The IUPAC name of 1-(3-pyrrol-1-ylphenyl)pyrrole (CID 91674731) is 1-(3-pyrrol-1-ylphenyl)pyrrole.
What is the SMILES notation for 1-(3-pyrrol-1-ylphenyl)pyrrole?
The canonical SMILES for 1-(3-pyrrol-1-ylphenyl)pyrrole is c1cc(-n2cccc2)cc(-n2cccc2)c1.
What is the InChIKey of 1-(3-pyrrol-1-ylphenyl)pyrrole?
The InChIKey is JORPBRLAGIJRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-2-9-15(8-1)13-6-5-7-14(12-13)16-10-3-4-11-16/h1-12H.
What are the key properties of 1-(3-pyrrol-1-ylphenyl)pyrrole?
1-(3-pyrrol-1-ylphenyl)pyrrole has a molecular weight of 208.26 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrrol-1-ylphenyl)pyrrole is sourced from PubChem (CID 91674731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).