2,4-bis(4-tert-butylphenyl)-6-chloro-1,3,5-triazine

C23H26ClN3 — CID 22475991

IUPAC2,4-bis(4-tert-butylphenyl)-6-chloro-1,3,5-triazine
SMILESCC(C)(C)c1ccc(-c2nc(Cl)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1
InChIInChI=1S/C23H26ClN3/c1-22(2,3)17-11-7-15(8-12-17)19-25-20(27-21(24)26-19)16-9-13-18(14-10-16)23(4,5)6/h7-14H,1-6H3
InChIKeyNLAAIBGZDQFCAO-UHFFFAOYSA-N
MW379.94 g/mol
LogP6.45
Rot. Bonds2

About 2,4-bis(4-tert-butylphenyl)-6-chloro-1,3,5-triazine

2,4-bis(4-tert-butylphenyl)-6-chloro-1,3,5-triazine (PubChem CID 22475991) has the molecular formula C23H26ClN3 and a molecular weight of 379.94 g/mol. Its IUPAC name is 2,4-bis(4-tert-butylphenyl)-6-chloro-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(4-tert-butylphenyl)-6-chloro-1,3,5-triazine
PubChem CID22475991
Molecular FormulaC23H26ClN3
Molecular Weight379.94 g/mol
Exact Mass379.18
IUPAC Name2,4-bis(4-tert-butylphenyl)-6-chloro-1,3,5-triazine
SMILESCC(C)(C)c1ccc(-c2nc(Cl)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1
InChIInChI=1S/C23H26ClN3/c1-22(2,3)17-11-7-15(8-12-17)19-25-20(27-21(24)26-19)16-9-13-18(14-10-16)23(4,5)6/h7-14H,1-6H3
InChIKeyNLAAIBGZDQFCAO-UHFFFAOYSA-N
XLogP6.45
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.94
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-bis(4-tert-butylphenyl)-6-chloro-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-bis(4-tert-butylphenyl)-6-chloro-1,3,5-triazine?
The IUPAC name of 2,4-bis(4-tert-butylphenyl)-6-chloro-1,3,5-triazine (CID 22475991) is 2,4-bis(4-tert-butylphenyl)-6-chloro-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(4-tert-butylphenyl)-6-chloro-1,3,5-triazine?
The canonical SMILES for 2,4-bis(4-tert-butylphenyl)-6-chloro-1,3,5-triazine is CC(C)(C)c1ccc(-c2nc(Cl)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1.
What is the InChIKey of 2,4-bis(4-tert-butylphenyl)-6-chloro-1,3,5-triazine?
The InChIKey is NLAAIBGZDQFCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3/c1-22(2,3)17-11-7-15(8-12-17)19-25-20(27-21(24)26-19)16-9-13-18(14-10-16)23(4,5)6/h7-14H,1-6H3.
What are the key properties of 2,4-bis(4-tert-butylphenyl)-6-chloro-1,3,5-triazine?
2,4-bis(4-tert-butylphenyl)-6-chloro-1,3,5-triazine has a molecular weight of 379.94 g/mol, XLogP of 6.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-tert-butylphenyl)-6-chloro-1,3,5-triazine is sourced from PubChem (CID 22475991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).