3-phenyl-2-(3-phenyl-1H-pyrrol-2-yl)-1H-pyrrole

C20H16N2 — CID 102186152

IUPAC3-phenyl-2-(3-phenyl-1H-pyrrol-2-yl)-1H-pyrrole
SMILESc1ccc(-c2cc[nH]c2-c2[nH]ccc2-c2ccccc2)cc1
InChIInChI=1S/C20H16N2/c1-3-7-15(8-4-1)17-11-13-21-19(17)20-18(12-14-22-20)16-9-5-2-6-10-16/h1-14,21-22H
InChIKeyXRLBGZQNFXPWFB-UHFFFAOYSA-N
MW284.36 g/mol
LogP5.34
Rot. Bonds3

About 3-phenyl-2-(3-phenyl-1H-pyrrol-2-yl)-1H-pyrrole

3-phenyl-2-(3-phenyl-1H-pyrrol-2-yl)-1H-pyrrole (PubChem CID 102186152) has the molecular formula C20H16N2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-phenyl-2-(3-phenyl-1H-pyrrol-2-yl)-1H-pyrrole.

Molecular Properties

Compound Name3-phenyl-2-(3-phenyl-1H-pyrrol-2-yl)-1H-pyrrole
PubChem CID102186152
Molecular FormulaC20H16N2
Molecular Weight284.36 g/mol
Exact Mass284.13
IUPAC Name3-phenyl-2-(3-phenyl-1H-pyrrol-2-yl)-1H-pyrrole
SMILESc1ccc(-c2cc[nH]c2-c2[nH]ccc2-c2ccccc2)cc1
InChIInChI=1S/C20H16N2/c1-3-7-15(8-4-1)17-11-13-21-19(17)20-18(12-14-22-20)16-9-5-2-6-10-16/h1-14,21-22H
InChIKeyXRLBGZQNFXPWFB-UHFFFAOYSA-N
XLogP5.34
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.36
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze 3-phenyl-2-(3-phenyl-1H-pyrrol-2-yl)-1H-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 3-phenyl-2-(3-phenyl-1H-pyrrol-2-yl)-1H-pyrrole?
The IUPAC name of 3-phenyl-2-(3-phenyl-1H-pyrrol-2-yl)-1H-pyrrole (CID 102186152) is 3-phenyl-2-(3-phenyl-1H-pyrrol-2-yl)-1H-pyrrole.
What is the SMILES notation for 3-phenyl-2-(3-phenyl-1H-pyrrol-2-yl)-1H-pyrrole?
The canonical SMILES for 3-phenyl-2-(3-phenyl-1H-pyrrol-2-yl)-1H-pyrrole is c1ccc(-c2cc[nH]c2-c2[nH]ccc2-c2ccccc2)cc1.
What is the InChIKey of 3-phenyl-2-(3-phenyl-1H-pyrrol-2-yl)-1H-pyrrole?
The InChIKey is XRLBGZQNFXPWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2/c1-3-7-15(8-4-1)17-11-13-21-19(17)20-18(12-14-22-20)16-9-5-2-6-10-16/h1-14,21-22H.
What are the key properties of 3-phenyl-2-(3-phenyl-1H-pyrrol-2-yl)-1H-pyrrole?
3-phenyl-2-(3-phenyl-1H-pyrrol-2-yl)-1H-pyrrole has a molecular weight of 284.36 g/mol, XLogP of 5.34, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(3-phenyl-1H-pyrrol-2-yl)-1H-pyrrole is sourced from PubChem (CID 102186152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).