2,3,6-trichlorobiphenylene

C12H5Cl3 — CID 57469245

IUPAC2,3,6-trichlorobiphenylene
SMILESClc1ccc2c(c1)-c1cc(Cl)c(Cl)cc1-2
InChIInChI=1S/C12H5Cl3/c13-6-1-2-7-8(3-6)10-5-12(15)11(14)4-9(7)10/h1-5H
InChIKeyZPFQKGPUVICJIX-UHFFFAOYSA-N
MW255.53 g/mol
LogP5.29
Rot. Bonds

About 2,3,6-trichlorobiphenylene

2,3,6-trichlorobiphenylene (PubChem CID 57469245) has the molecular formula C12H5Cl3 and a molecular weight of 255.53 g/mol. Its IUPAC name is 2,3,6-trichlorobiphenylene.

Molecular Properties

Compound Name2,3,6-trichlorobiphenylene
PubChem CID57469245
Molecular FormulaC12H5Cl3
Molecular Weight255.53 g/mol
Exact Mass253.95
IUPAC Name2,3,6-trichlorobiphenylene
SMILESClc1ccc2c(c1)-c1cc(Cl)c(Cl)cc1-2
InChIInChI=1S/C12H5Cl3/c13-6-1-2-7-8(3-6)10-5-12(15)11(14)4-9(7)10/h1-5H
InChIKeyZPFQKGPUVICJIX-UHFFFAOYSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.53
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,3,6-trichlorobiphenylene 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 2,3,6-trichlorobiphenylene?
The IUPAC name of 2,3,6-trichlorobiphenylene (CID 57469245) is 2,3,6-trichlorobiphenylene.
What is the SMILES notation for 2,3,6-trichlorobiphenylene?
The canonical SMILES for 2,3,6-trichlorobiphenylene is Clc1ccc2c(c1)-c1cc(Cl)c(Cl)cc1-2.
What is the InChIKey of 2,3,6-trichlorobiphenylene?
The InChIKey is ZPFQKGPUVICJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3/c13-6-1-2-7-8(3-6)10-5-12(15)11(14)4-9(7)10/h1-5H.
What are the key properties of 2,3,6-trichlorobiphenylene?
2,3,6-trichlorobiphenylene has a molecular weight of 255.53 g/mol, XLogP of 5.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trichlorobiphenylene is sourced from PubChem (CID 57469245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).