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

C30H36N6 — CID 135021757

IUPAC2,4,6-tris(4-tert-butyl-2-pyridinyl)-1,3,5-triazine
SMILESCC(C)(C)c1ccnc(-c2nc(-c3cc(C(C)(C)C)ccn3)nc(-c3cc(C(C)(C)C)ccn3)n2)c1
InChIInChI=1S/C30H36N6/c1-28(2,3)19-10-13-31-22(16-19)25-34-26(23-17-20(11-14-32-23)29(4,5)6)36-27(35-25)24-18-21(12-15-33-24)30(7,8)9/h10-18H,1-9H3
InChIKeyYBIYSVGKRMMWFO-UHFFFAOYSA-N
MW480.66 g/mol
LogP6.95
Rot. Bonds3

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

2,4,6-tris(4-tert-butyl-2-pyridinyl)-1,3,5-triazine (PubChem CID 135021757) has the molecular formula C30H36N6 and a molecular weight of 480.66 g/mol. Its IUPAC name is 2,4,6-tris(4-tert-butyl-2-pyridinyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(4-tert-butyl-2-pyridinyl)-1,3,5-triazine
PubChem CID135021757
Molecular FormulaC30H36N6
Molecular Weight480.66 g/mol
Exact Mass480.30
IUPAC Name2,4,6-tris(4-tert-butyl-2-pyridinyl)-1,3,5-triazine
SMILESCC(C)(C)c1ccnc(-c2nc(-c3cc(C(C)(C)C)ccn3)nc(-c3cc(C(C)(C)C)ccn3)n2)c1
InChIInChI=1S/C30H36N6/c1-28(2,3)19-10-13-31-22(16-19)25-34-26(23-17-20(11-14-32-23)29(4,5)6)36-27(35-25)24-18-21(12-15-33-24)30(7,8)9/h10-18H,1-9H3
InChIKeyYBIYSVGKRMMWFO-UHFFFAOYSA-N
XLogP6.95
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.66
LogP ≤ 56.95
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-pyridinyl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(4-tert-butyl-2-pyridinyl)-1,3,5-triazine (CID 135021757) is 2,4,6-tris(4-tert-butyl-2-pyridinyl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(4-tert-butyl-2-pyridinyl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(4-tert-butyl-2-pyridinyl)-1,3,5-triazine is CC(C)(C)c1ccnc(-c2nc(-c3cc(C(C)(C)C)ccn3)nc(-c3cc(C(C)(C)C)ccn3)n2)c1.
What is the InChIKey of 2,4,6-tris(4-tert-butyl-2-pyridinyl)-1,3,5-triazine?
The InChIKey is YBIYSVGKRMMWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6/c1-28(2,3)19-10-13-31-22(16-19)25-34-26(23-17-20(11-14-32-23)29(4,5)6)36-27(35-25)24-18-21(12-15-33-24)30(7,8)9/h10-18H,1-9H3.
What are the key properties of 2,4,6-tris(4-tert-butyl-2-pyridinyl)-1,3,5-triazine?
2,4,6-tris(4-tert-butyl-2-pyridinyl)-1,3,5-triazine has a molecular weight of 480.66 g/mol, XLogP of 6.95, 3 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-pyridinyl)-1,3,5-triazine is sourced from PubChem (CID 135021757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).