5H-phenazine-1,10-dicarbonitrile

C14H8N4 — CID 176908764

IUPAC5H-phenazine-1,10-dicarbonitrile
SMILESN#Cc1cccc2c1N(C#N)c1ccccc1N2
InChIInChI=1S/C14H8N4/c15-8-10-4-3-6-12-14(10)18(9-16)13-7-2-1-5-11(13)17-12/h1-7,17H
InChIKeyOFYLOXLRKDYRJD-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.23
Rot. Bonds

About 5H-phenazine-1,10-dicarbonitrile

5H-phenazine-1,10-dicarbonitrile (PubChem CID 176908764) has the molecular formula C14H8N4 and a molecular weight of 232.25 g/mol. Its IUPAC name is 5H-phenazine-1,10-dicarbonitrile.

Molecular Properties

Compound Name5H-phenazine-1,10-dicarbonitrile
PubChem CID176908764
Molecular FormulaC14H8N4
Molecular Weight232.25 g/mol
Exact Mass232.07
IUPAC Name5H-phenazine-1,10-dicarbonitrile
SMILESN#Cc1cccc2c1N(C#N)c1ccccc1N2
InChIInChI=1S/C14H8N4/c15-8-10-4-3-6-12-14(10)18(9-16)13-7-2-1-5-11(13)17-12/h1-7,17H
InChIKeyOFYLOXLRKDYRJD-UHFFFAOYSA-N
XLogP3.23
TPSA62.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze 5H-phenazine-1,10-dicarbonitrile 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 5H-phenazine-1,10-dicarbonitrile?
The IUPAC name of 5H-phenazine-1,10-dicarbonitrile (CID 176908764) is 5H-phenazine-1,10-dicarbonitrile.
What is the SMILES notation for 5H-phenazine-1,10-dicarbonitrile?
The canonical SMILES for 5H-phenazine-1,10-dicarbonitrile is N#Cc1cccc2c1N(C#N)c1ccccc1N2.
What is the InChIKey of 5H-phenazine-1,10-dicarbonitrile?
The InChIKey is OFYLOXLRKDYRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4/c15-8-10-4-3-6-12-14(10)18(9-16)13-7-2-1-5-11(13)17-12/h1-7,17H.
What are the key properties of 5H-phenazine-1,10-dicarbonitrile?
5H-phenazine-1,10-dicarbonitrile has a molecular weight of 232.25 g/mol, XLogP of 3.23, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-phenazine-1,10-dicarbonitrile is sourced from PubChem (CID 176908764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).