3,4-diphenyl-1-(2-phenylethyl)pyrrole

C24H21N — CID 10426366

IUPAC3,4-diphenyl-1-(2-phenylethyl)pyrrole
SMILESc1ccc(CCn2cc(-c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C24H21N/c1-4-10-20(11-5-1)16-17-25-18-23(21-12-6-2-7-13-21)24(19-25)22-14-8-3-9-15-22/h1-15,18-19H,16-17H2
InChIKeyVYUVFGJRKDAAOI-UHFFFAOYSA-N
MW323.44 g/mol
LogP6.06
Rot. Bonds5

About 3,4-diphenyl-1-(2-phenylethyl)pyrrole

3,4-diphenyl-1-(2-phenylethyl)pyrrole (PubChem CID 10426366) has the molecular formula C24H21N and a molecular weight of 323.44 g/mol. Its IUPAC name is 3,4-diphenyl-1-(2-phenylethyl)pyrrole.

Molecular Properties

Compound Name3,4-diphenyl-1-(2-phenylethyl)pyrrole
PubChem CID10426366
Molecular FormulaC24H21N
Molecular Weight323.44 g/mol
Exact Mass323.17
IUPAC Name3,4-diphenyl-1-(2-phenylethyl)pyrrole
SMILESc1ccc(CCn2cc(-c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C24H21N/c1-4-10-20(11-5-1)16-17-25-18-23(21-12-6-2-7-13-21)24(19-25)22-14-8-3-9-15-22/h1-15,18-19H,16-17H2
InChIKeyVYUVFGJRKDAAOI-UHFFFAOYSA-N
XLogP6.06
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,4-diphenyl-1-(2-phenylethyl)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 3,4-diphenyl-1-(2-phenylethyl)pyrrole?
The IUPAC name of 3,4-diphenyl-1-(2-phenylethyl)pyrrole (CID 10426366) is 3,4-diphenyl-1-(2-phenylethyl)pyrrole.
What is the SMILES notation for 3,4-diphenyl-1-(2-phenylethyl)pyrrole?
The canonical SMILES for 3,4-diphenyl-1-(2-phenylethyl)pyrrole is c1ccc(CCn2cc(-c3ccccc3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 3,4-diphenyl-1-(2-phenylethyl)pyrrole?
The InChIKey is VYUVFGJRKDAAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N/c1-4-10-20(11-5-1)16-17-25-18-23(21-12-6-2-7-13-21)24(19-25)22-14-8-3-9-15-22/h1-15,18-19H,16-17H2.
What are the key properties of 3,4-diphenyl-1-(2-phenylethyl)pyrrole?
3,4-diphenyl-1-(2-phenylethyl)pyrrole has a molecular weight of 323.44 g/mol, XLogP of 6.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-1-(2-phenylethyl)pyrrole is sourced from PubChem (CID 10426366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).