4-anthracen-9-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile

C23H17N3 — CID 3585525

IUPAC4-anthracen-9-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2c3ccccc3cc3ccccc23)C(C#N)=C(C)N1
InChIInChI=1S/C23H17N3/c1-14-20(12-24)23(21(13-25)15(2)26-14)22-18-9-5-3-7-16(18)11-17-8-4-6-10-19(17)22/h3-11,23,26H,1-2H3
InChIKeyITMJFAIZTQQPEY-UHFFFAOYSA-N
MW335.41 g/mol
LogP5.27
Rot. Bonds1

About 4-anthracen-9-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile

4-anthracen-9-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 3585525) has the molecular formula C23H17N3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-anthracen-9-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name4-anthracen-9-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID3585525
Molecular FormulaC23H17N3
Molecular Weight335.41 g/mol
Exact Mass335.14
IUPAC Name4-anthracen-9-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2c3ccccc3cc3ccccc23)C(C#N)=C(C)N1
InChIInChI=1S/C23H17N3/c1-14-20(12-24)23(21(13-25)15(2)26-14)22-18-9-5-3-7-16(18)11-17-8-4-6-10-19(17)22/h3-11,23,26H,1-2H3
InChIKeyITMJFAIZTQQPEY-UHFFFAOYSA-N
XLogP5.27
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.41
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-anthracen-9-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile 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-anthracen-9-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 4-anthracen-9-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile (CID 3585525) is 4-anthracen-9-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 4-anthracen-9-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 4-anthracen-9-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile is CC1=C(C#N)C(c2c3ccccc3cc3ccccc23)C(C#N)=C(C)N1.
What is the InChIKey of 4-anthracen-9-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is ITMJFAIZTQQPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3/c1-14-20(12-24)23(21(13-25)15(2)26-14)22-18-9-5-3-7-16(18)11-17-8-4-6-10-19(17)22/h3-11,23,26H,1-2H3.
What are the key properties of 4-anthracen-9-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
4-anthracen-9-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 335.41 g/mol, XLogP of 5.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anthracen-9-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 3585525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).