5-benzyl-1,3-diphenyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrrole

C25H22N2 — CID 11792168

IUPAC5-benzyl-1,3-diphenyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrrole
SMILESc1ccc(CN2Cc3c(-c4ccccc4)[nH]c(-c4ccccc4)c3C2)cc1
InChIInChI=1S/C25H22N2/c1-4-10-19(11-5-1)16-27-17-22-23(18-27)25(21-14-8-3-9-15-21)26-24(22)20-12-6-2-7-13-20/h1-15,26H,16-18H2
InChIKeyXPZIIJVAVYDHEE-UHFFFAOYSA-N
MW350.47 g/mol
LogP5.86
Rot. Bonds4

About 5-benzyl-1,3-diphenyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrrole

5-benzyl-1,3-diphenyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrrole (PubChem CID 11792168) has the molecular formula C25H22N2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 5-benzyl-1,3-diphenyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-benzyl-1,3-diphenyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrrole
PubChem CID11792168
Molecular FormulaC25H22N2
Molecular Weight350.47 g/mol
Exact Mass350.18
IUPAC Name5-benzyl-1,3-diphenyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrrole
SMILESc1ccc(CN2Cc3c(-c4ccccc4)[nH]c(-c4ccccc4)c3C2)cc1
InChIInChI=1S/C25H22N2/c1-4-10-19(11-5-1)16-27-17-22-23(18-27)25(21-14-8-3-9-15-21)26-24(22)20-12-6-2-7-13-20/h1-15,26H,16-18H2
InChIKeyXPZIIJVAVYDHEE-UHFFFAOYSA-N
XLogP5.86
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-benzyl-1,3-diphenyl-4,6-dihydro-2H-pyrrolo[3,4-c]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 5-benzyl-1,3-diphenyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-benzyl-1,3-diphenyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrrole (CID 11792168) is 5-benzyl-1,3-diphenyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-benzyl-1,3-diphenyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-benzyl-1,3-diphenyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrrole is c1ccc(CN2Cc3c(-c4ccccc4)[nH]c(-c4ccccc4)c3C2)cc1.
What is the InChIKey of 5-benzyl-1,3-diphenyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrrole?
The InChIKey is XPZIIJVAVYDHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2/c1-4-10-19(11-5-1)16-27-17-22-23(18-27)25(21-14-8-3-9-15-21)26-24(22)20-12-6-2-7-13-20/h1-15,26H,16-18H2.
What are the key properties of 5-benzyl-1,3-diphenyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrrole?
5-benzyl-1,3-diphenyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrrole has a molecular weight of 350.47 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1,3-diphenyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 11792168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).