1,1'-biphenyl;3-chloro-2-phenylbicyclo[3.1.0]hexa-1,3,5-triene

C24H17Cl — CID 68955843

IUPAC1,1'-biphenyl;3-chloro-2-phenylbicyclo[3.1.0]hexa-1,3,5-triene
SMILESClc1cc2cc-2c1-c1ccccc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H7Cl.C12H10/c13-11-7-9-6-10(9)12(11)8-4-2-1-3-5-8;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-7H;1-10H
InChIKeyGHGUCYUJTPECFS-UHFFFAOYSA-N
MW340.85 g/mol
LogP7.34
Rot. Bonds2

About 1,1'-biphenyl;3-chloro-2-phenylbicyclo[3.1.0]hexa-1,3,5-triene

1,1'-biphenyl;3-chloro-2-phenylbicyclo[3.1.0]hexa-1,3,5-triene (PubChem CID 68955843) has the molecular formula C24H17Cl and a molecular weight of 340.85 g/mol. Its IUPAC name is 1,1'-biphenyl;3-chloro-2-phenylbicyclo[3.1.0]hexa-1,3,5-triene.

Molecular Properties

Compound Name1,1'-biphenyl;3-chloro-2-phenylbicyclo[3.1.0]hexa-1,3,5-triene
PubChem CID68955843
Molecular FormulaC24H17Cl
Molecular Weight340.85 g/mol
Exact Mass340.10
IUPAC Name1,1'-biphenyl;3-chloro-2-phenylbicyclo[3.1.0]hexa-1,3,5-triene
SMILESClc1cc2cc-2c1-c1ccccc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H7Cl.C12H10/c13-11-7-9-6-10(9)12(11)8-4-2-1-3-5-8;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-7H;1-10H
InChIKeyGHGUCYUJTPECFS-UHFFFAOYSA-N
XLogP7.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.85
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,1'-biphenyl;3-chloro-2-phenylbicyclo[3.1.0]hexa-1,3,5-triene 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 1,1'-biphenyl;3-chloro-2-phenylbicyclo[3.1.0]hexa-1,3,5-triene?
The IUPAC name of 1,1'-biphenyl;3-chloro-2-phenylbicyclo[3.1.0]hexa-1,3,5-triene (CID 68955843) is 1,1'-biphenyl;3-chloro-2-phenylbicyclo[3.1.0]hexa-1,3,5-triene.
What is the SMILES notation for 1,1'-biphenyl;3-chloro-2-phenylbicyclo[3.1.0]hexa-1,3,5-triene?
The canonical SMILES for 1,1'-biphenyl;3-chloro-2-phenylbicyclo[3.1.0]hexa-1,3,5-triene is Clc1cc2cc-2c1-c1ccccc1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;3-chloro-2-phenylbicyclo[3.1.0]hexa-1,3,5-triene?
The InChIKey is GHGUCYUJTPECFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl.C12H10/c13-11-7-9-6-10(9)12(11)8-4-2-1-3-5-8;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-7H;1-10H.
What are the key properties of 1,1'-biphenyl;3-chloro-2-phenylbicyclo[3.1.0]hexa-1,3,5-triene?
1,1'-biphenyl;3-chloro-2-phenylbicyclo[3.1.0]hexa-1,3,5-triene has a molecular weight of 340.85 g/mol, XLogP of 7.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;3-chloro-2-phenylbicyclo[3.1.0]hexa-1,3,5-triene is sourced from PubChem (CID 68955843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).