2,4-di(anthracen-9-yl)-6-methyl-1,3,5-triazine

C32H21N3 — CID 131973884

IUPAC2,4-di(anthracen-9-yl)-6-methyl-1,3,5-triazine
SMILESCc1nc(-c2c3ccccc3cc3ccccc23)nc(-c2c3ccccc3cc3ccccc23)n1
InChIInChI=1S/C32H21N3/c1-20-33-31(29-25-14-6-2-10-21(25)18-22-11-3-7-15-26(22)29)35-32(34-20)30-27-16-8-4-12-23(27)19-24-13-5-9-17-28(24)30/h2-19H,1H3
InChIKeyZPALFNHYCHBGDW-UHFFFAOYSA-N
MW447.54 g/mol
LogP8.13
Rot. Bonds2

About 2,4-di(anthracen-9-yl)-6-methyl-1,3,5-triazine

2,4-di(anthracen-9-yl)-6-methyl-1,3,5-triazine (PubChem CID 131973884) has the molecular formula C32H21N3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 2,4-di(anthracen-9-yl)-6-methyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-di(anthracen-9-yl)-6-methyl-1,3,5-triazine
PubChem CID131973884
Molecular FormulaC32H21N3
Molecular Weight447.54 g/mol
Exact Mass447.17
IUPAC Name2,4-di(anthracen-9-yl)-6-methyl-1,3,5-triazine
SMILESCc1nc(-c2c3ccccc3cc3ccccc23)nc(-c2c3ccccc3cc3ccccc23)n1
InChIInChI=1S/C32H21N3/c1-20-33-31(29-25-14-6-2-10-21(25)18-22-11-3-7-15-26(22)29)35-32(34-20)30-27-16-8-4-12-23(27)19-24-13-5-9-17-28(24)30/h2-19H,1H3
InChIKeyZPALFNHYCHBGDW-UHFFFAOYSA-N
XLogP8.13
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4-di(anthracen-9-yl)-6-methyl-1,3,5-triazine 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 2,4-di(anthracen-9-yl)-6-methyl-1,3,5-triazine?
The IUPAC name of 2,4-di(anthracen-9-yl)-6-methyl-1,3,5-triazine (CID 131973884) is 2,4-di(anthracen-9-yl)-6-methyl-1,3,5-triazine.
What is the SMILES notation for 2,4-di(anthracen-9-yl)-6-methyl-1,3,5-triazine?
The canonical SMILES for 2,4-di(anthracen-9-yl)-6-methyl-1,3,5-triazine is Cc1nc(-c2c3ccccc3cc3ccccc23)nc(-c2c3ccccc3cc3ccccc23)n1.
What is the InChIKey of 2,4-di(anthracen-9-yl)-6-methyl-1,3,5-triazine?
The InChIKey is ZPALFNHYCHBGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N3/c1-20-33-31(29-25-14-6-2-10-21(25)18-22-11-3-7-15-26(22)29)35-32(34-20)30-27-16-8-4-12-23(27)19-24-13-5-9-17-28(24)30/h2-19H,1H3.
What are the key properties of 2,4-di(anthracen-9-yl)-6-methyl-1,3,5-triazine?
2,4-di(anthracen-9-yl)-6-methyl-1,3,5-triazine has a molecular weight of 447.54 g/mol, XLogP of 8.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(anthracen-9-yl)-6-methyl-1,3,5-triazine is sourced from PubChem (CID 131973884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).