2,3-diethyl-2,3-diphenylbutanedinitrile

C20H20N2 — CID 589393

IUPAC2,3-diethyl-2,3-diphenylbutanedinitrile
SMILESCCC(C#N)(c1ccccc1)C(C#N)(CC)c1ccccc1
InChIInChI=1S/C20H20N2/c1-3-19(15-21,17-11-7-5-8-12-17)20(4-2,16-22)18-13-9-6-10-14-18/h5-14H,3-4H2,1-2H3
InChIKeySUWALKZMGIKCPS-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.73
Rot. Bonds5

About 2,3-diethyl-2,3-diphenylbutanedinitrile

2,3-diethyl-2,3-diphenylbutanedinitrile (PubChem CID 589393) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2,3-diethyl-2,3-diphenylbutanedinitrile.

Molecular Properties

Compound Name2,3-diethyl-2,3-diphenylbutanedinitrile
PubChem CID589393
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name2,3-diethyl-2,3-diphenylbutanedinitrile
SMILESCCC(C#N)(c1ccccc1)C(C#N)(CC)c1ccccc1
InChIInChI=1S/C20H20N2/c1-3-19(15-21,17-11-7-5-8-12-17)20(4-2,16-22)18-13-9-6-10-14-18/h5-14H,3-4H2,1-2H3
InChIKeySUWALKZMGIKCPS-UHFFFAOYSA-N
XLogP4.73
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3-diethyl-2,3-diphenylbutanedinitrile 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 2,3-diethyl-2,3-diphenylbutanedinitrile?
The IUPAC name of 2,3-diethyl-2,3-diphenylbutanedinitrile (CID 589393) is 2,3-diethyl-2,3-diphenylbutanedinitrile.
What is the SMILES notation for 2,3-diethyl-2,3-diphenylbutanedinitrile?
The canonical SMILES for 2,3-diethyl-2,3-diphenylbutanedinitrile is CCC(C#N)(c1ccccc1)C(C#N)(CC)c1ccccc1.
What is the InChIKey of 2,3-diethyl-2,3-diphenylbutanedinitrile?
The InChIKey is SUWALKZMGIKCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-3-19(15-21,17-11-7-5-8-12-17)20(4-2,16-22)18-13-9-6-10-14-18/h5-14H,3-4H2,1-2H3.
What are the key properties of 2,3-diethyl-2,3-diphenylbutanedinitrile?
2,3-diethyl-2,3-diphenylbutanedinitrile has a molecular weight of 288.39 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-2,3-diphenylbutanedinitrile is sourced from PubChem (CID 589393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).