biphenylene;methane

C13H12 — CID 22235154

IUPACbiphenylene;methane
SMILESC.c1ccc2c(c1)-c1ccccc1-2
InChIInChI=1S/C12H8.CH4/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;/h1-8H;1H4
InChIKeyVZFQOWRKGJDEBG-UHFFFAOYSA-N
MW168.24 g/mol
LogP3.97
Rot. Bonds

About biphenylene;methane

biphenylene;methane (PubChem CID 22235154) has the molecular formula C13H12 and a molecular weight of 168.24 g/mol. Its IUPAC name is biphenylene;methane.

Molecular Properties

Compound Namebiphenylene;methane
PubChem CID22235154
Molecular FormulaC13H12
Molecular Weight168.24 g/mol
Exact Mass168.09
IUPAC Namebiphenylene;methane
SMILESC.c1ccc2c(c1)-c1ccccc1-2
InChIInChI=1S/C12H8.CH4/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;/h1-8H;1H4
InChIKeyVZFQOWRKGJDEBG-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze biphenylene;methane 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 biphenylene;methane?
The IUPAC name of biphenylene;methane (CID 22235154) is biphenylene;methane.
What is the SMILES notation for biphenylene;methane?
The canonical SMILES for biphenylene;methane is C.c1ccc2c(c1)-c1ccccc1-2.
What is the InChIKey of biphenylene;methane?
The InChIKey is VZFQOWRKGJDEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8.CH4/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;/h1-8H;1H4.
What are the key properties of biphenylene;methane?
biphenylene;methane has a molecular weight of 168.24 g/mol, XLogP of 3.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for biphenylene;methane is sourced from PubChem (CID 22235154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).