2-[[(2-cyanophenyl)methyldiselanyl]methyl]benzonitrile

C16H12N2Se2 — CID 53375795

IUPAC2-[[(2-cyanophenyl)methyldiselanyl]methyl]benzonitrile
SMILESN#Cc1ccccc1C[Se][Se]Cc1ccccc1C#N
InChIInChI=1S/C16H12N2Se2/c17-9-13-5-1-3-7-15(13)11-19-20-12-16-8-4-2-6-14(16)10-18/h1-8H,11-12H2
InChIKeyOZJKSCQFLMVRHG-UHFFFAOYSA-N
MW390.21 g/mol
LogP2.45
Rot. Bonds5

About 2-[[(2-cyanophenyl)methyldiselanyl]methyl]benzonitrile

2-[[(2-cyanophenyl)methyldiselanyl]methyl]benzonitrile (PubChem CID 53375795) has the molecular formula C16H12N2Se2 and a molecular weight of 390.21 g/mol. Its IUPAC name is 2-[[(2-cyanophenyl)methyldiselanyl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[(2-cyanophenyl)methyldiselanyl]methyl]benzonitrile
PubChem CID53375795
Molecular FormulaC16H12N2Se2
Molecular Weight390.21 g/mol
Exact Mass391.93
IUPAC Name2-[[(2-cyanophenyl)methyldiselanyl]methyl]benzonitrile
SMILESN#Cc1ccccc1C[Se][Se]Cc1ccccc1C#N
InChIInChI=1S/C16H12N2Se2/c17-9-13-5-1-3-7-15(13)11-19-20-12-16-8-4-2-6-14(16)10-18/h1-8H,11-12H2
InChIKeyOZJKSCQFLMVRHG-UHFFFAOYSA-N
XLogP2.45
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.21
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-[[(2-cyanophenyl)methyldiselanyl]methyl]benzonitrile 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-[[(2-cyanophenyl)methyldiselanyl]methyl]benzonitrile?
The IUPAC name of 2-[[(2-cyanophenyl)methyldiselanyl]methyl]benzonitrile (CID 53375795) is 2-[[(2-cyanophenyl)methyldiselanyl]methyl]benzonitrile.
What is the SMILES notation for 2-[[(2-cyanophenyl)methyldiselanyl]methyl]benzonitrile?
The canonical SMILES for 2-[[(2-cyanophenyl)methyldiselanyl]methyl]benzonitrile is N#Cc1ccccc1C[Se][Se]Cc1ccccc1C#N.
What is the InChIKey of 2-[[(2-cyanophenyl)methyldiselanyl]methyl]benzonitrile?
The InChIKey is OZJKSCQFLMVRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2Se2/c17-9-13-5-1-3-7-15(13)11-19-20-12-16-8-4-2-6-14(16)10-18/h1-8H,11-12H2.
What are the key properties of 2-[[(2-cyanophenyl)methyldiselanyl]methyl]benzonitrile?
2-[[(2-cyanophenyl)methyldiselanyl]methyl]benzonitrile has a molecular weight of 390.21 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-cyanophenyl)methyldiselanyl]methyl]benzonitrile is sourced from PubChem (CID 53375795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).