2,5-diphenylpyrrolidine-3,3,4,4-tetracarbonitrile

C20H13N5 — CID 14592764

IUPAC2,5-diphenylpyrrolidine-3,3,4,4-tetracarbonitrile
SMILESN#CC1(C#N)C(c2ccccc2)NC(c2ccccc2)C1(C#N)C#N
InChIInChI=1S/C20H13N5/c21-11-19(12-22)17(15-7-3-1-4-8-15)25-18(20(19,13-23)14-24)16-9-5-2-6-10-16/h1-10,17-18,25H
InChIKeyXBBSMYVOGVILKW-UHFFFAOYSA-N
MW323.36 g/mol
LogP3.14
Rot. Bonds2

About 2,5-diphenylpyrrolidine-3,3,4,4-tetracarbonitrile

2,5-diphenylpyrrolidine-3,3,4,4-tetracarbonitrile (PubChem CID 14592764) has the molecular formula C20H13N5 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2,5-diphenylpyrrolidine-3,3,4,4-tetracarbonitrile.

Molecular Properties

Compound Name2,5-diphenylpyrrolidine-3,3,4,4-tetracarbonitrile
PubChem CID14592764
Molecular FormulaC20H13N5
Molecular Weight323.36 g/mol
Exact Mass323.12
IUPAC Name2,5-diphenylpyrrolidine-3,3,4,4-tetracarbonitrile
SMILESN#CC1(C#N)C(c2ccccc2)NC(c2ccccc2)C1(C#N)C#N
InChIInChI=1S/C20H13N5/c21-11-19(12-22)17(15-7-3-1-4-8-15)25-18(20(19,13-23)14-24)16-9-5-2-6-10-16/h1-10,17-18,25H
InChIKeyXBBSMYVOGVILKW-UHFFFAOYSA-N
XLogP3.14
TPSA107.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_cyano_A(23)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-diphenylpyrrolidine-3,3,4,4-tetracarbonitrile?
The IUPAC name of 2,5-diphenylpyrrolidine-3,3,4,4-tetracarbonitrile (CID 14592764) is 2,5-diphenylpyrrolidine-3,3,4,4-tetracarbonitrile.
What is the SMILES notation for 2,5-diphenylpyrrolidine-3,3,4,4-tetracarbonitrile?
The canonical SMILES for 2,5-diphenylpyrrolidine-3,3,4,4-tetracarbonitrile is N#CC1(C#N)C(c2ccccc2)NC(c2ccccc2)C1(C#N)C#N.
What is the InChIKey of 2,5-diphenylpyrrolidine-3,3,4,4-tetracarbonitrile?
The InChIKey is XBBSMYVOGVILKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5/c21-11-19(12-22)17(15-7-3-1-4-8-15)25-18(20(19,13-23)14-24)16-9-5-2-6-10-16/h1-10,17-18,25H.
What are the key properties of 2,5-diphenylpyrrolidine-3,3,4,4-tetracarbonitrile?
2,5-diphenylpyrrolidine-3,3,4,4-tetracarbonitrile has a molecular weight of 323.36 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenylpyrrolidine-3,3,4,4-tetracarbonitrile is sourced from PubChem (CID 14592764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).