2-[phenyl(phenyldiazenyl)methyl]propanedinitrile

C16H12N4 — CID 19435

IUPAC2-[phenyl(phenyldiazenyl)methyl]propanedinitrile
SMILESN#CC(C#N)C(/N=N/c1ccccc1)c1ccccc1
InChIInChI=1S/C16H12N4/c17-11-14(12-18)16(13-7-3-1-4-8-13)20-19-15-9-5-2-6-10-15/h1-10,14,16H/b20-19+
InChIKeyRROCVGOQYPOLIO-FMQUCBEESA-N
MW260.30 g/mol
LogP4.17
Rot. Bonds4

About 2-[phenyl(phenyldiazenyl)methyl]propanedinitrile

2-[phenyl(phenyldiazenyl)methyl]propanedinitrile (PubChem CID 19435) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-[phenyl(phenyldiazenyl)methyl]propanedinitrile.

Molecular Properties

Compound Name2-[phenyl(phenyldiazenyl)methyl]propanedinitrile
PubChem CID19435
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name2-[phenyl(phenyldiazenyl)methyl]propanedinitrile
SMILESN#CC(C#N)C(/N=N/c1ccccc1)c1ccccc1
InChIInChI=1S/C16H12N4/c17-11-14(12-18)16(13-7-3-1-4-8-13)20-19-15-9-5-2-6-10-15/h1-10,14,16H/b20-19+
InChIKeyRROCVGOQYPOLIO-FMQUCBEESA-N
XLogP4.17
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 2-[phenyl(phenyldiazenyl)methyl]propanedinitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diphenyldiazene;oxalonitrile
CID 174439181
(2R)-2-cyano-2-phenyldiazenylacetamide
CID 98111479
4,4-dimethyl-2-phenyldiazenylpentanenitrile
CID 67922022
hydrogen peroxide;2-methyl-3-phenyldiazenylpropanenitrile
CID 88713139
(2S,3R)-2,3-diphenylbutanedinitrile
CID 714999
(4-phenyldiazenylphenyl)iminocyanamide
CID 4616332
diphenyldiazene;hydrofluoride
CID 174857584
[phenyl(phenyldiazenyl)methyl] formate
CID 173083254
2-[[phenyl(phenyldiazenyl)methyl]diazenyl]benzenethiol
CID 136638028
2-((Diphenylsilyl)(phenyl)methyl)malononitrile
CID 166636961
benzhydryl-(4-methylphenyl)diazene
CID 91269446
benzhydryl-(4-fluorophenyl)diazene
CID 91167183

Frequently Asked Questions

What is the IUPAC name of 2-[phenyl(phenyldiazenyl)methyl]propanedinitrile?
The IUPAC name of 2-[phenyl(phenyldiazenyl)methyl]propanedinitrile (CID 19435) is 2-[phenyl(phenyldiazenyl)methyl]propanedinitrile.
What is the SMILES notation for 2-[phenyl(phenyldiazenyl)methyl]propanedinitrile?
The canonical SMILES for 2-[phenyl(phenyldiazenyl)methyl]propanedinitrile is N#CC(C#N)C(/N=N/c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[phenyl(phenyldiazenyl)methyl]propanedinitrile?
The InChIKey is RROCVGOQYPOLIO-FMQUCBEESA-N. The full InChI is InChI=1S/C16H12N4/c17-11-14(12-18)16(13-7-3-1-4-8-13)20-19-15-9-5-2-6-10-15/h1-10,14,16H/b20-19+.
What are the key properties of 2-[phenyl(phenyldiazenyl)methyl]propanedinitrile?
2-[phenyl(phenyldiazenyl)methyl]propanedinitrile has a molecular weight of 260.30 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[phenyl(phenyldiazenyl)methyl]propanedinitrile is sourced from PubChem (CID 19435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).