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

C24H29N3 — CID 168805959

IUPAC2,4-bis(3-tert-butylphenyl)-6-methyl-1,3,5-triazine
SMILESCc1nc(-c2cccc(C(C)(C)C)c2)nc(-c2cccc(C(C)(C)C)c2)n1
InChIInChI=1S/C24H29N3/c1-16-25-21(17-10-8-12-19(14-17)23(2,3)4)27-22(26-16)18-11-9-13-20(15-18)24(5,6)7/h8-15H,1-7H3
InChIKeyUFFOYOJLFJOASE-UHFFFAOYSA-N
MW359.52 g/mol
LogP6.11
Rot. Bonds2

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

2,4-bis(3-tert-butylphenyl)-6-methyl-1,3,5-triazine (PubChem CID 168805959) has the molecular formula C24H29N3 and a molecular weight of 359.52 g/mol. Its IUPAC name is 2,4-bis(3-tert-butylphenyl)-6-methyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(3-tert-butylphenyl)-6-methyl-1,3,5-triazine
PubChem CID168805959
Molecular FormulaC24H29N3
Molecular Weight359.52 g/mol
Exact Mass359.24
IUPAC Name2,4-bis(3-tert-butylphenyl)-6-methyl-1,3,5-triazine
SMILESCc1nc(-c2cccc(C(C)(C)C)c2)nc(-c2cccc(C(C)(C)C)c2)n1
InChIInChI=1S/C24H29N3/c1-16-25-21(17-10-8-12-19(14-17)23(2,3)4)27-22(26-16)18-11-9-13-20(15-18)24(5,6)7/h8-15H,1-7H3
InChIKeyUFFOYOJLFJOASE-UHFFFAOYSA-N
XLogP6.11
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.52
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-bis(3,5-ditert-butylphenyl)-6-[3-(3,5-ditert-butylphenyl)phenyl]-1,3,5-triazine
CID 157308201
2,4-bis(3-fluorophenyl)-6-methyl-1,3,5-triazine
CID 134472353
1-tert-butyl-3-(3-tert-butylphenyl)benzene;ethane
CID 159548907
4-(4-tert-butylphenyl)-14-phenyl-3,5,13,15,28,30-hexazahexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(25),2(30),3,5,7,9,11(29),12,14,16(28),17,19,21(27),22(26),23-pentadecaene
CID 134507698
2-tert-butyl-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-tert-butyl-4,6-diphenylpyrimidine;2-(3-tert-butylphenyl)-4,6-diphenylpyrimidine;2-(4-tert-butylphenyl)-4,6-diphenylpyrimidine;2-(4-tert-butylphenyl)-4,6-diphenyl-1,3,5-triazine;2-tert-butyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 159252272
2-[3,5-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176842963
2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176842997
5-(3-tert-butylphenyl)-2H-tetrazole
CID 22972916
magnesium;1,3-ditert-butylbenzene;dibromide
CID 174717429
3-tert-butyl-9-[4-(3-tert-butylphenyl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole
CID 170669493
1,2-bis(3-tert-butylphenyl)benzene
CID 164767999
1-tert-butyl-3-(4-tert-butylphenyl)benzene
CID 12682933

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3-tert-butylphenyl)-6-methyl-1,3,5-triazine?
The IUPAC name of 2,4-bis(3-tert-butylphenyl)-6-methyl-1,3,5-triazine (CID 168805959) is 2,4-bis(3-tert-butylphenyl)-6-methyl-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(3-tert-butylphenyl)-6-methyl-1,3,5-triazine?
The canonical SMILES for 2,4-bis(3-tert-butylphenyl)-6-methyl-1,3,5-triazine is Cc1nc(-c2cccc(C(C)(C)C)c2)nc(-c2cccc(C(C)(C)C)c2)n1.
What is the InChIKey of 2,4-bis(3-tert-butylphenyl)-6-methyl-1,3,5-triazine?
The InChIKey is UFFOYOJLFJOASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3/c1-16-25-21(17-10-8-12-19(14-17)23(2,3)4)27-22(26-16)18-11-9-13-20(15-18)24(5,6)7/h8-15H,1-7H3.
What are the key properties of 2,4-bis(3-tert-butylphenyl)-6-methyl-1,3,5-triazine?
2,4-bis(3-tert-butylphenyl)-6-methyl-1,3,5-triazine has a molecular weight of 359.52 g/mol, XLogP of 6.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3-tert-butylphenyl)-6-methyl-1,3,5-triazine is sourced from PubChem (CID 168805959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).