9-chloro-2,6-dimethyl-10-phenylanthracene

C22H17Cl — CID 58351152

IUPAC9-chloro-2,6-dimethyl-10-phenylanthracene
SMILESCc1ccc2c(-c3ccccc3)c3cc(C)ccc3c(Cl)c2c1
InChIInChI=1S/C22H17Cl/c1-14-9-11-18-19(12-14)21(16-6-4-3-5-7-16)17-10-8-15(2)13-20(17)22(18)23/h3-13H,1-2H3
InChIKeyCRZOODKZOOUGOE-UHFFFAOYSA-N
MW316.83 g/mol
LogP6.93
Rot. Bonds1

About 9-chloro-2,6-dimethyl-10-phenylanthracene

9-chloro-2,6-dimethyl-10-phenylanthracene (PubChem CID 58351152) has the molecular formula C22H17Cl and a molecular weight of 316.83 g/mol. Its IUPAC name is 9-chloro-2,6-dimethyl-10-phenylanthracene.

Molecular Properties

Compound Name9-chloro-2,6-dimethyl-10-phenylanthracene
PubChem CID58351152
Molecular FormulaC22H17Cl
Molecular Weight316.83 g/mol
Exact Mass316.10
IUPAC Name9-chloro-2,6-dimethyl-10-phenylanthracene
SMILESCc1ccc2c(-c3ccccc3)c3cc(C)ccc3c(Cl)c2c1
InChIInChI=1S/C22H17Cl/c1-14-9-11-18-19(12-14)21(16-6-4-3-5-7-16)17-10-8-15(2)13-20(17)22(18)23/h3-13H,1-2H3
InChIKeyCRZOODKZOOUGOE-UHFFFAOYSA-N
XLogP6.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.83
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-chloro-2,6-dimethyl-10-phenylanthracene 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 9-chloro-2,6-dimethyl-10-phenylanthracene?
The IUPAC name of 9-chloro-2,6-dimethyl-10-phenylanthracene (CID 58351152) is 9-chloro-2,6-dimethyl-10-phenylanthracene.
What is the SMILES notation for 9-chloro-2,6-dimethyl-10-phenylanthracene?
The canonical SMILES for 9-chloro-2,6-dimethyl-10-phenylanthracene is Cc1ccc2c(-c3ccccc3)c3cc(C)ccc3c(Cl)c2c1.
What is the InChIKey of 9-chloro-2,6-dimethyl-10-phenylanthracene?
The InChIKey is CRZOODKZOOUGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl/c1-14-9-11-18-19(12-14)21(16-6-4-3-5-7-16)17-10-8-15(2)13-20(17)22(18)23/h3-13H,1-2H3.
What are the key properties of 9-chloro-2,6-dimethyl-10-phenylanthracene?
9-chloro-2,6-dimethyl-10-phenylanthracene has a molecular weight of 316.83 g/mol, XLogP of 6.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-2,6-dimethyl-10-phenylanthracene is sourced from PubChem (CID 58351152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).