di(cyclohexa-1,3-dien-1-yl)diazene

C12H14N2 — CID 54256782

IUPACdi(cyclohexa-1,3-dien-1-yl)diazene
SMILESC1=CCCC(/N=N/C2=CC=CCC2)=C1
InChIInChI=1S/C12H14N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-3,5,7,9H,4,6,8,10H2/b14-13+
InChIKeyRAQAIDUQLXGABM-BUHFOSPRSA-N
MW186.26 g/mol
LogP3.91
Rot. Bonds2

About di(cyclohexa-1,3-dien-1-yl)diazene

di(cyclohexa-1,3-dien-1-yl)diazene (PubChem CID 54256782) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is di(cyclohexa-1,3-dien-1-yl)diazene.

Molecular Properties

Compound Namedi(cyclohexa-1,3-dien-1-yl)diazene
PubChem CID54256782
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Namedi(cyclohexa-1,3-dien-1-yl)diazene
SMILESC1=CCCC(/N=N/C2=CC=CCC2)=C1
InChIInChI=1S/C12H14N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-3,5,7,9H,4,6,8,10H2/b14-13+
InChIKeyRAQAIDUQLXGABM-BUHFOSPRSA-N
XLogP3.91
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze di(cyclohexa-1,3-dien-1-yl)diazene 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

Cyclohexa-1,3-dien-1-yl(ethylidyneazaniumyl)azanide
CID 162397558
2-Azidocyclohexa-1,3-diene
CID 19353050
Cyclohexa-1,3-dien-1-yldiazene
CID 23218793
2-[(6-Sulfanylidenecyclohexa-1,3-dien-1-yl)diazenyl]cyclohexa-2,4-diene-1-thione
CID 87477740
Cyclohexa-1,5-dien-1-yl(cyclohexen-1-yl)diazene
CID 89429390
1-Azido-5,5-dimethylcyclohexa-1,3-diene
CID 141733196
1-Azidocyclohexa-1,3-diene
CID 148242389
cyclohexa-1,3-dien-1-yl-[(3E,5Z)-hepta-3,5-dien-3-yl]diazene
CID 156301668
Bis(4,4-dideuteriocyclohexa-1,5-dien-1-yl)diazene
CID 177751595

Frequently Asked Questions

What is the IUPAC name of di(cyclohexa-1,3-dien-1-yl)diazene?
The IUPAC name of di(cyclohexa-1,3-dien-1-yl)diazene (CID 54256782) is di(cyclohexa-1,3-dien-1-yl)diazene.
What is the SMILES notation for di(cyclohexa-1,3-dien-1-yl)diazene?
The canonical SMILES for di(cyclohexa-1,3-dien-1-yl)diazene is C1=CCCC(/N=N/C2=CC=CCC2)=C1.
What is the InChIKey of di(cyclohexa-1,3-dien-1-yl)diazene?
The InChIKey is RAQAIDUQLXGABM-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H14N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-3,5,7,9H,4,6,8,10H2/b14-13+.
What are the key properties of di(cyclohexa-1,3-dien-1-yl)diazene?
di(cyclohexa-1,3-dien-1-yl)diazene has a molecular weight of 186.26 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(cyclohexa-1,3-dien-1-yl)diazene is sourced from PubChem (CID 54256782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).