2,4-ditert-butyl-6-[2-[9-[2-(4-tert-butyl-6-propan-2-yl-1,3,5-triazin-2-yl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]ethyl]-1,3,5-triazine

C32H52N6O4 — CID 172537064

IUPAC2,4-ditert-butyl-6-[2-[9-[2-(4-tert-butyl-6-propan-2-yl-1,3,5-triazin-2-yl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]ethyl]-1,3,5-triazine
SMILESCC(C)c1nc(CCC2OCC3(CO2)COC(CCc2nc(C(C)(C)C)nc(C(C)(C)C)n2)OC3)nc(C(C)(C)C)n1
InChIInChI=1S/C32H52N6O4/c1-20(2)25-33-21(34-26(37-25)29(3,4)5)12-14-23-39-16-32(17-40-23)18-41-24(42-19-32)15-13-22-35-27(30(6,7)8)38-28(36-22)31(9,10)11/h20,23-24H,12-19H2,1-11H3
InChIKeyBSHNCHHHHPVFRK-UHFFFAOYSA-N
MW584.81 g/mol
LogP5.37
Rot. Bonds7

About 2,4-ditert-butyl-6-[2-[9-[2-(4-tert-butyl-6-propan-2-yl-1,3,5-triazin-2-yl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]ethyl]-1,3,5-triazine

2,4-ditert-butyl-6-[2-[9-[2-(4-tert-butyl-6-propan-2-yl-1,3,5-triazin-2-yl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]ethyl]-1,3,5-triazine (PubChem CID 172537064) has the molecular formula C32H52N6O4 and a molecular weight of 584.81 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[2-[9-[2-(4-tert-butyl-6-propan-2-yl-1,3,5-triazin-2-yl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]ethyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[2-[9-[2-(4-tert-butyl-6-propan-2-yl-1,3,5-triazin-2-yl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]ethyl]-1,3,5-triazine
PubChem CID172537064
Molecular FormulaC32H52N6O4
Molecular Weight584.81 g/mol
Exact Mass584.41
IUPAC Name2,4-ditert-butyl-6-[2-[9-[2-(4-tert-butyl-6-propan-2-yl-1,3,5-triazin-2-yl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]ethyl]-1,3,5-triazine
SMILESCC(C)c1nc(CCC2OCC3(CO2)COC(CCc2nc(C(C)(C)C)nc(C(C)(C)C)n2)OC3)nc(C(C)(C)C)n1
InChIInChI=1S/C32H52N6O4/c1-20(2)25-33-21(34-26(37-25)29(3,4)5)12-14-23-39-16-32(17-40-23)18-41-24(42-19-32)15-13-22-35-27(30(6,7)8)38-28(36-22)31(9,10)11/h20,23-24H,12-19H2,1-11H3
InChIKeyBSHNCHHHHPVFRK-UHFFFAOYSA-N
XLogP5.37
TPSA114.26 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.81
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2,4-ditert-butyl-6-[2-[9-[2-(4-tert-butyl-6-propan-2-yl-1,3,5-triazin-2-yl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]ethyl]-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[2-[9-[2-(4-tert-butyl-6-propan-2-yl-1,3,5-triazin-2-yl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]ethyl]-1,3,5-triazine?
The IUPAC name of 2,4-ditert-butyl-6-[2-[9-[2-(4-tert-butyl-6-propan-2-yl-1,3,5-triazin-2-yl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]ethyl]-1,3,5-triazine (CID 172537064) is 2,4-ditert-butyl-6-[2-[9-[2-(4-tert-butyl-6-propan-2-yl-1,3,5-triazin-2-yl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]ethyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-ditert-butyl-6-[2-[9-[2-(4-tert-butyl-6-propan-2-yl-1,3,5-triazin-2-yl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]ethyl]-1,3,5-triazine?
The canonical SMILES for 2,4-ditert-butyl-6-[2-[9-[2-(4-tert-butyl-6-propan-2-yl-1,3,5-triazin-2-yl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]ethyl]-1,3,5-triazine is CC(C)c1nc(CCC2OCC3(CO2)COC(CCc2nc(C(C)(C)C)nc(C(C)(C)C)n2)OC3)nc(C(C)(C)C)n1.
What is the InChIKey of 2,4-ditert-butyl-6-[2-[9-[2-(4-tert-butyl-6-propan-2-yl-1,3,5-triazin-2-yl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]ethyl]-1,3,5-triazine?
The InChIKey is BSHNCHHHHPVFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H52N6O4/c1-20(2)25-33-21(34-26(37-25)29(3,4)5)12-14-23-39-16-32(17-40-23)18-41-24(42-19-32)15-13-22-35-27(30(6,7)8)38-28(36-22)31(9,10)11/h20,23-24H,12-19H2,1-11H3.
What are the key properties of 2,4-ditert-butyl-6-[2-[9-[2-(4-tert-butyl-6-propan-2-yl-1,3,5-triazin-2-yl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]ethyl]-1,3,5-triazine?
2,4-ditert-butyl-6-[2-[9-[2-(4-tert-butyl-6-propan-2-yl-1,3,5-triazin-2-yl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]ethyl]-1,3,5-triazine has a molecular weight of 584.81 g/mol, XLogP of 5.37, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[2-[9-[2-(4-tert-butyl-6-propan-2-yl-1,3,5-triazin-2-yl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]ethyl]-1,3,5-triazine is sourced from PubChem (CID 172537064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).