2,4,6-tris(4-tert-butyl-2-methylphenoxy)-1,3,5-triazine

C36H45N3O3 — CID 4289842

IUPAC2,4,6-tris(4-tert-butyl-2-methylphenoxy)-1,3,5-triazine
SMILESCc1cc(C(C)(C)C)ccc1Oc1nc(Oc2ccc(C(C)(C)C)cc2C)nc(Oc2ccc(C(C)(C)C)cc2C)n1
InChIInChI=1S/C36H45N3O3/c1-22-19-25(34(4,5)6)13-16-28(22)40-31-37-32(41-29-17-14-26(20-23(29)2)35(7,8)9)39-33(38-31)42-30-18-15-27(21-24(30)3)36(10,11)12/h13-21H,1-12H3
InChIKeyCHVIIYANXCUMIT-UHFFFAOYSA-N
MW567.77 g/mol
LogP10.07
Rot. Bonds6

About 2,4,6-tris(4-tert-butyl-2-methylphenoxy)-1,3,5-triazine

2,4,6-tris(4-tert-butyl-2-methylphenoxy)-1,3,5-triazine (PubChem CID 4289842) has the molecular formula C36H45N3O3 and a molecular weight of 567.77 g/mol. Its IUPAC name is 2,4,6-tris(4-tert-butyl-2-methylphenoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(4-tert-butyl-2-methylphenoxy)-1,3,5-triazine
PubChem CID4289842
Molecular FormulaC36H45N3O3
Molecular Weight567.77 g/mol
Exact Mass567.35
IUPAC Name2,4,6-tris(4-tert-butyl-2-methylphenoxy)-1,3,5-triazine
SMILESCc1cc(C(C)(C)C)ccc1Oc1nc(Oc2ccc(C(C)(C)C)cc2C)nc(Oc2ccc(C(C)(C)C)cc2C)n1
InChIInChI=1S/C36H45N3O3/c1-22-19-25(34(4,5)6)13-16-28(22)40-31-37-32(41-29-17-14-26(20-23(29)2)35(7,8)9)39-33(38-31)42-30-18-15-27(21-24(30)3)36(10,11)12/h13-21H,1-12H3
InChIKeyCHVIIYANXCUMIT-UHFFFAOYSA-N
XLogP10.07
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.77
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(4-tert-butyl-2-methylphenoxy)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(4-tert-butyl-2-methylphenoxy)-1,3,5-triazine (CID 4289842) is 2,4,6-tris(4-tert-butyl-2-methylphenoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(4-tert-butyl-2-methylphenoxy)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(4-tert-butyl-2-methylphenoxy)-1,3,5-triazine is Cc1cc(C(C)(C)C)ccc1Oc1nc(Oc2ccc(C(C)(C)C)cc2C)nc(Oc2ccc(C(C)(C)C)cc2C)n1.
What is the InChIKey of 2,4,6-tris(4-tert-butyl-2-methylphenoxy)-1,3,5-triazine?
The InChIKey is CHVIIYANXCUMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H45N3O3/c1-22-19-25(34(4,5)6)13-16-28(22)40-31-37-32(41-29-17-14-26(20-23(29)2)35(7,8)9)39-33(38-31)42-30-18-15-27(21-24(30)3)36(10,11)12/h13-21H,1-12H3.
What are the key properties of 2,4,6-tris(4-tert-butyl-2-methylphenoxy)-1,3,5-triazine?
2,4,6-tris(4-tert-butyl-2-methylphenoxy)-1,3,5-triazine has a molecular weight of 567.77 g/mol, XLogP of 10.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(4-tert-butyl-2-methylphenoxy)-1,3,5-triazine is sourced from PubChem (CID 4289842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).