2,4-ditert-butyl-6-[6-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazine

C31H41FN4 — CID 118857242

IUPAC2,4-ditert-butyl-6-[6-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2ccc(-c3cc(F)c4c(c3)C(C)(C)C(C)(C)C4(C)C)nc2)nc(C(C)(C)C)n1
InChIInChI=1S/C31H41FN4/c1-27(2,3)25-34-24(35-26(36-25)28(4,5)6)18-13-14-22(33-17-18)19-15-20-23(21(32)16-19)30(9,10)31(11,12)29(20,7)8/h13-17H,1-12H3
InChIKeyPGOAZSZRSKVCJH-UHFFFAOYSA-N
MW488.70 g/mol
LogP7.93
Rot. Bonds2

About 2,4-ditert-butyl-6-[6-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazine

2,4-ditert-butyl-6-[6-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazine (PubChem CID 118857242) has the molecular formula C31H41FN4 and a molecular weight of 488.70 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[6-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[6-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazine
PubChem CID118857242
Molecular FormulaC31H41FN4
Molecular Weight488.70 g/mol
Exact Mass488.33
IUPAC Name2,4-ditert-butyl-6-[6-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2ccc(-c3cc(F)c4c(c3)C(C)(C)C(C)(C)C4(C)C)nc2)nc(C(C)(C)C)n1
InChIInChI=1S/C31H41FN4/c1-27(2,3)25-34-24(35-26(36-25)28(4,5)6)18-13-14-22(33-17-18)19-15-20-23(21(32)16-19)30(9,10)31(11,12)29(20,7)8/h13-17H,1-12H3
InChIKeyPGOAZSZRSKVCJH-UHFFFAOYSA-N
XLogP7.93
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.70
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-ditert-butyl-6-[6-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-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

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[6-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazine?
The IUPAC name of 2,4-ditert-butyl-6-[6-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazine (CID 118857242) is 2,4-ditert-butyl-6-[6-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-ditert-butyl-6-[6-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazine?
The canonical SMILES for 2,4-ditert-butyl-6-[6-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazine is CC(C)(C)c1nc(-c2ccc(-c3cc(F)c4c(c3)C(C)(C)C(C)(C)C4(C)C)nc2)nc(C(C)(C)C)n1.
What is the InChIKey of 2,4-ditert-butyl-6-[6-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazine?
The InChIKey is PGOAZSZRSKVCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41FN4/c1-27(2,3)25-34-24(35-26(36-25)28(4,5)6)18-13-14-22(33-17-18)19-15-20-23(21(32)16-19)30(9,10)31(11,12)29(20,7)8/h13-17H,1-12H3.
What are the key properties of 2,4-ditert-butyl-6-[6-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazine?
2,4-ditert-butyl-6-[6-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazine has a molecular weight of 488.70 g/mol, XLogP of 7.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[6-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazine is sourced from PubChem (CID 118857242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).