6-phenyldiazenylcyclohexa-2,4-diene-1,1-dicarbonitrile

C14H10N4 — CID 154086393

IUPAC6-phenyldiazenylcyclohexa-2,4-diene-1,1-dicarbonitrile
SMILESN#CC1(C#N)C=CC=CC1/N=N/c1ccccc1
InChIInChI=1S/C14H10N4/c15-10-14(11-16)9-5-4-8-13(14)18-17-12-6-2-1-3-7-12/h1-9,13H/b18-17+
InChIKeyLMXCDWXUQJAAIR-ISLYRVAYSA-N
MW234.26 g/mol
LogP3.30
Rot. Bonds2

About 6-phenyldiazenylcyclohexa-2,4-diene-1,1-dicarbonitrile

6-phenyldiazenylcyclohexa-2,4-diene-1,1-dicarbonitrile (PubChem CID 154086393) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 6-phenyldiazenylcyclohexa-2,4-diene-1,1-dicarbonitrile.

Molecular Properties

Compound Name6-phenyldiazenylcyclohexa-2,4-diene-1,1-dicarbonitrile
PubChem CID154086393
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name6-phenyldiazenylcyclohexa-2,4-diene-1,1-dicarbonitrile
SMILESN#CC1(C#N)C=CC=CC1/N=N/c1ccccc1
InChIInChI=1S/C14H10N4/c15-10-14(11-16)9-5-4-8-13(14)18-17-12-6-2-1-3-7-12/h1-9,13H/b18-17+
InChIKeyLMXCDWXUQJAAIR-ISLYRVAYSA-N
XLogP3.30
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.30
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'}

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Frequently Asked Questions

What is the IUPAC name of 6-phenyldiazenylcyclohexa-2,4-diene-1,1-dicarbonitrile?
The IUPAC name of 6-phenyldiazenylcyclohexa-2,4-diene-1,1-dicarbonitrile (CID 154086393) is 6-phenyldiazenylcyclohexa-2,4-diene-1,1-dicarbonitrile.
What is the SMILES notation for 6-phenyldiazenylcyclohexa-2,4-diene-1,1-dicarbonitrile?
The canonical SMILES for 6-phenyldiazenylcyclohexa-2,4-diene-1,1-dicarbonitrile is N#CC1(C#N)C=CC=CC1/N=N/c1ccccc1.
What is the InChIKey of 6-phenyldiazenylcyclohexa-2,4-diene-1,1-dicarbonitrile?
The InChIKey is LMXCDWXUQJAAIR-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H10N4/c15-10-14(11-16)9-5-4-8-13(14)18-17-12-6-2-1-3-7-12/h1-9,13H/b18-17+.
What are the key properties of 6-phenyldiazenylcyclohexa-2,4-diene-1,1-dicarbonitrile?
6-phenyldiazenylcyclohexa-2,4-diene-1,1-dicarbonitrile has a molecular weight of 234.26 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyldiazenylcyclohexa-2,4-diene-1,1-dicarbonitrile is sourced from PubChem (CID 154086393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).