1-(4-pyrrol-1-ylphenyl)pyrrole

C14H12N2 — CID 2768239

IUPAC1-(4-pyrrol-1-ylphenyl)pyrrole
SMILESc1ccn(-c2ccc(-n3cccc3)cc2)c1
InChIInChI=1S/C14H12N2/c1-2-10-15(9-1)13-5-7-14(8-6-13)16-11-3-4-12-16/h1-12H
InChIKeyZHLJNYILTKSSOZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.27
Rot. Bonds2

About 1-(4-pyrrol-1-ylphenyl)pyrrole

1-(4-pyrrol-1-ylphenyl)pyrrole (PubChem CID 2768239) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(4-pyrrol-1-ylphenyl)pyrrole.

Molecular Properties

Compound Name1-(4-pyrrol-1-ylphenyl)pyrrole
PubChem CID2768239
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name1-(4-pyrrol-1-ylphenyl)pyrrole
SMILESc1ccn(-c2ccc(-n3cccc3)cc2)c1
InChIInChI=1S/C14H12N2/c1-2-10-15(9-1)13-5-7-14(8-6-13)16-11-3-4-12-16/h1-12H
InChIKeyZHLJNYILTKSSOZ-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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrrol-1-ylphenyl)pyrrole?
The IUPAC name of 1-(4-pyrrol-1-ylphenyl)pyrrole (CID 2768239) is 1-(4-pyrrol-1-ylphenyl)pyrrole.
What is the SMILES notation for 1-(4-pyrrol-1-ylphenyl)pyrrole?
The canonical SMILES for 1-(4-pyrrol-1-ylphenyl)pyrrole is c1ccn(-c2ccc(-n3cccc3)cc2)c1.
What is the InChIKey of 1-(4-pyrrol-1-ylphenyl)pyrrole?
The InChIKey is ZHLJNYILTKSSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-2-10-15(9-1)13-5-7-14(8-6-13)16-11-3-4-12-16/h1-12H.
What are the key properties of 1-(4-pyrrol-1-ylphenyl)pyrrole?
1-(4-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-(4-pyrrol-1-ylphenyl)pyrrole is sourced from PubChem (CID 2768239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).