4-(3,6-dimethylanthracen-9-yl)-2,6-diethylpyridine

C25H25N — CID 59672235

IUPAC4-(3,6-dimethylanthracen-9-yl)-2,6-diethylpyridine
SMILESCCc1cc(-c2c3ccc(C)cc3cc3cc(C)ccc23)cc(CC)n1
InChIInChI=1S/C25H25N/c1-5-21-14-20(15-22(6-2)26-21)25-23-9-7-16(3)11-18(23)13-19-12-17(4)8-10-24(19)25/h7-15H,5-6H2,1-4H3
InChIKeyBEBZMTBGCKTGOY-UHFFFAOYSA-N
MW339.48 g/mol
LogP6.80
Rot. Bonds3

About 4-(3,6-dimethylanthracen-9-yl)-2,6-diethylpyridine

4-(3,6-dimethylanthracen-9-yl)-2,6-diethylpyridine (PubChem CID 59672235) has the molecular formula C25H25N and a molecular weight of 339.48 g/mol. Its IUPAC name is 4-(3,6-dimethylanthracen-9-yl)-2,6-diethylpyridine.

Molecular Properties

Compound Name4-(3,6-dimethylanthracen-9-yl)-2,6-diethylpyridine
PubChem CID59672235
Molecular FormulaC25H25N
Molecular Weight339.48 g/mol
Exact Mass339.20
IUPAC Name4-(3,6-dimethylanthracen-9-yl)-2,6-diethylpyridine
SMILESCCc1cc(-c2c3ccc(C)cc3cc3cc(C)ccc23)cc(CC)n1
InChIInChI=1S/C25H25N/c1-5-21-14-20(15-22(6-2)26-21)25-23-9-7-16(3)11-18(23)13-19-12-17(4)8-10-24(19)25/h7-15H,5-6H2,1-4H3
InChIKeyBEBZMTBGCKTGOY-UHFFFAOYSA-N
XLogP6.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(3,6-dimethylanthracen-9-yl)-2,6-diethylpyridine 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 4-(3,6-dimethylanthracen-9-yl)-2,6-diethylpyridine?
The IUPAC name of 4-(3,6-dimethylanthracen-9-yl)-2,6-diethylpyridine (CID 59672235) is 4-(3,6-dimethylanthracen-9-yl)-2,6-diethylpyridine.
What is the SMILES notation for 4-(3,6-dimethylanthracen-9-yl)-2,6-diethylpyridine?
The canonical SMILES for 4-(3,6-dimethylanthracen-9-yl)-2,6-diethylpyridine is CCc1cc(-c2c3ccc(C)cc3cc3cc(C)ccc23)cc(CC)n1.
What is the InChIKey of 4-(3,6-dimethylanthracen-9-yl)-2,6-diethylpyridine?
The InChIKey is BEBZMTBGCKTGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N/c1-5-21-14-20(15-22(6-2)26-21)25-23-9-7-16(3)11-18(23)13-19-12-17(4)8-10-24(19)25/h7-15H,5-6H2,1-4H3.
What are the key properties of 4-(3,6-dimethylanthracen-9-yl)-2,6-diethylpyridine?
4-(3,6-dimethylanthracen-9-yl)-2,6-diethylpyridine has a molecular weight of 339.48 g/mol, XLogP of 6.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dimethylanthracen-9-yl)-2,6-diethylpyridine is sourced from PubChem (CID 59672235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).