2,4-ditert-butyl-6-[4-[2-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]ethyl]phenyl]-1,3,5-triazine

C36H48N6 — CID 102108600

IUPAC2,4-ditert-butyl-6-[4-[2-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]ethyl]phenyl]-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2ccc(CCc3ccc(-c4nc(C(C)(C)C)nc(C(C)(C)C)n4)cc3)cc2)nc(C(C)(C)C)n1
InChIInChI=1S/C36H48N6/c1-33(2,3)29-37-27(38-30(41-29)34(4,5)6)25-19-15-23(16-20-25)13-14-24-17-21-26(22-18-24)28-39-31(35(7,8)9)42-32(40-28)36(10,11)12/h15-22H,13-14H2,1-12H3
InChIKeyLOHNJPUCTUUYOO-UHFFFAOYSA-N
MW564.82 g/mol
LogP8.37
Rot. Bonds5

About 2,4-ditert-butyl-6-[4-[2-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]ethyl]phenyl]-1,3,5-triazine

2,4-ditert-butyl-6-[4-[2-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]ethyl]phenyl]-1,3,5-triazine (PubChem CID 102108600) has the molecular formula C36H48N6 and a molecular weight of 564.82 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[2-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]ethyl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[4-[2-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]ethyl]phenyl]-1,3,5-triazine
PubChem CID102108600
Molecular FormulaC36H48N6
Molecular Weight564.82 g/mol
Exact Mass564.39
IUPAC Name2,4-ditert-butyl-6-[4-[2-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]ethyl]phenyl]-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2ccc(CCc3ccc(-c4nc(C(C)(C)C)nc(C(C)(C)C)n4)cc3)cc2)nc(C(C)(C)C)n1
InChIInChI=1S/C36H48N6/c1-33(2,3)29-37-27(38-30(41-29)34(4,5)6)25-19-15-23(16-20-25)13-14-24-17-21-26(22-18-24)28-39-31(35(7,8)9)42-32(40-28)36(10,11)12/h15-22H,13-14H2,1-12H3
InChIKeyLOHNJPUCTUUYOO-UHFFFAOYSA-N
XLogP8.37
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.82
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,4-ditert-butyl-6-[4-[2-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]ethyl]phenyl]-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

Related Compounds

chloromethane;bis(2-[4-(2-phenylethyl)phenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine)
CID 161153571
2-tert-butyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252344
2-[3,5-bis(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-4,6-ditert-butyl-1,3,5-triazine
CID 176842958
2,4-ditert-butyl-6-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 176843132
4-tert-butyl-6-(4-methylphenyl)-1,3,5-triazin-2-amine
CID 63869011
2,4,6-tris[4-(2,2-dimethylpropyl)phenyl]-1,3,5-triazine
CID 140828529
2-tert-butyl-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 176647044
2,4-ditert-butyl-6-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 176842898
2-tert-butyl-4-chloro-6-(4-phenylphenyl)-1,3,5-triazine
CID 156828221
2-tert-butyl-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168803489
4-(4-bromophenyl)-6-tert-butyl-1,3,5-triazin-2-amine
CID 63867311
2-tert-butyl-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 176627975

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[4-[2-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]ethyl]phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-ditert-butyl-6-[4-[2-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]ethyl]phenyl]-1,3,5-triazine (CID 102108600) is 2,4-ditert-butyl-6-[4-[2-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]ethyl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-ditert-butyl-6-[4-[2-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]ethyl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-ditert-butyl-6-[4-[2-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]ethyl]phenyl]-1,3,5-triazine is CC(C)(C)c1nc(-c2ccc(CCc3ccc(-c4nc(C(C)(C)C)nc(C(C)(C)C)n4)cc3)cc2)nc(C(C)(C)C)n1.
What is the InChIKey of 2,4-ditert-butyl-6-[4-[2-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]ethyl]phenyl]-1,3,5-triazine?
The InChIKey is LOHNJPUCTUUYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H48N6/c1-33(2,3)29-37-27(38-30(41-29)34(4,5)6)25-19-15-23(16-20-25)13-14-24-17-21-26(22-18-24)28-39-31(35(7,8)9)42-32(40-28)36(10,11)12/h15-22H,13-14H2,1-12H3.
What are the key properties of 2,4-ditert-butyl-6-[4-[2-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]ethyl]phenyl]-1,3,5-triazine?
2,4-ditert-butyl-6-[4-[2-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]ethyl]phenyl]-1,3,5-triazine has a molecular weight of 564.82 g/mol, XLogP of 8.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[4-[2-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]ethyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 102108600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).