8-phenyl-2,6-diazoniabicyclo[5.1.0]octa-2,5-diene

C12H14N2+2 — CID 102436446

IUPAC8-phenyl-2,6-diazoniabicyclo[5.1.0]octa-2,5-diene
SMILESC1=[NH+]C2C([NH+]=CC1)C2c1ccccc1
InChIInChI=1S/C12H12N2/c1-2-5-9(6-3-1)10-11-12(10)14-8-4-7-13-11/h1-3,5-8,10-12H,4H2/p+2
InChIKeyGSMHGUIBBQETDY-UHFFFAOYSA-P
MW186.26 g/mol
LogP-1.77
Rot. Bonds1

About 8-phenyl-2,6-diazoniabicyclo[5.1.0]octa-2,5-diene

8-phenyl-2,6-diazoniabicyclo[5.1.0]octa-2,5-diene (PubChem CID 102436446) has the molecular formula C12H14N2+2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 8-phenyl-2,6-diazoniabicyclo[5.1.0]octa-2,5-diene.

Molecular Properties

Compound Name8-phenyl-2,6-diazoniabicyclo[5.1.0]octa-2,5-diene
PubChem CID102436446
Molecular FormulaC12H14N2+2
Molecular Weight186.26 g/mol
Exact Mass186.11
IUPAC Name8-phenyl-2,6-diazoniabicyclo[5.1.0]octa-2,5-diene
SMILESC1=[NH+]C2C([NH+]=CC1)C2c1ccccc1
InChIInChI=1S/C12H12N2/c1-2-5-9(6-3-1)10-11-12(10)14-8-4-7-13-11/h1-3,5-8,10-12H,4H2/p+2
InChIKeyGSMHGUIBBQETDY-UHFFFAOYSA-P
XLogP-1.77
TPSA27.94 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-1.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze 8-phenyl-2,6-diazoniabicyclo[5.1.0]octa-2,5-diene 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

trans-(2S,3S)-N,N-dimethyl-2,3-diphenylcyclopropan-1-amine
CID 134994236
7-phenyl-2,5-dioxabicyclo[4.1.0]heptane
CID 12910404
2-methyl-3-phenylcyclopropan-1-ol
CID 100919927
9,10-diphenyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 140505234
2,3-diphenylcyclopropan-1-ol
CID 15400659
[(1S,3S)-2-bromo-3-phenylcyclopropyl]benzene
CID 135038673
4-[(3S,4R,7R,8S)-4,8-diphenyl-7-pyridin-1-ium-4-yl-3-tricyclo[4.2.0.02,5]octanyl]pyridin-1-ium
CID 102308578
(2R,3S,4S,5R)-2,3,4,5-tetraphenyloxolane
CID 102288914
2,4-dimethyl-3-phenylpyrrolidine
CID 130987644
benzene;cyclopropylbenzene
CID 144638417
carbanide;iron(2+);methylcyclopentane;(2-methyl-3,4,5-triphenylcyclopentyl)benzene
CID 162297288
trans-(2R,3R)-2,3-diphenylcyclopropane-1-diazonium
CID 10106251

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-2,6-diazoniabicyclo[5.1.0]octa-2,5-diene?
The IUPAC name of 8-phenyl-2,6-diazoniabicyclo[5.1.0]octa-2,5-diene (CID 102436446) is 8-phenyl-2,6-diazoniabicyclo[5.1.0]octa-2,5-diene.
What is the SMILES notation for 8-phenyl-2,6-diazoniabicyclo[5.1.0]octa-2,5-diene?
The canonical SMILES for 8-phenyl-2,6-diazoniabicyclo[5.1.0]octa-2,5-diene is C1=[NH+]C2C([NH+]=CC1)C2c1ccccc1.
What is the InChIKey of 8-phenyl-2,6-diazoniabicyclo[5.1.0]octa-2,5-diene?
The InChIKey is GSMHGUIBBQETDY-UHFFFAOYSA-P. The full InChI is InChI=1S/C12H12N2/c1-2-5-9(6-3-1)10-11-12(10)14-8-4-7-13-11/h1-3,5-8,10-12H,4H2/p+2.
What are the key properties of 8-phenyl-2,6-diazoniabicyclo[5.1.0]octa-2,5-diene?
8-phenyl-2,6-diazoniabicyclo[5.1.0]octa-2,5-diene has a molecular weight of 186.26 g/mol, XLogP of -1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-2,6-diazoniabicyclo[5.1.0]octa-2,5-diene is sourced from PubChem (CID 102436446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).