2,4-bis(4-tert-butylphenyl)-6-[6-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazine

C43H49FN4 — CID 118857240

IUPAC2,4-bis(4-tert-butylphenyl)-6-[6-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazine
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4cc(F)c5c(c4)C(C)(C)C(C)(C)C5(C)C)nc3)n2)cc1
InChIInChI=1S/C43H49FN4/c1-39(2,3)30-18-13-26(14-19-30)36-46-37(27-15-20-31(21-16-27)40(4,5)6)48-38(47-36)28-17-22-34(45-25-28)29-23-32-35(33(44)24-29)42(9,10)43(11,12)41(32,7)8/h13-25H,1-12H3
InChIKeyMZAFMFPEQJADND-UHFFFAOYSA-N
MW640.89 g/mol
LogP11.26
Rot. Bonds4

About 2,4-bis(4-tert-butylphenyl)-6-[6-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazine

2,4-bis(4-tert-butylphenyl)-6-[6-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazine (PubChem CID 118857240) has the molecular formula C43H49FN4 and a molecular weight of 640.89 g/mol. Its IUPAC name is 2,4-bis(4-tert-butylphenyl)-6-[6-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(4-tert-butylphenyl)-6-[6-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazine
PubChem CID118857240
Molecular FormulaC43H49FN4
Molecular Weight640.89 g/mol
Exact Mass640.39
IUPAC Name2,4-bis(4-tert-butylphenyl)-6-[6-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazine
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4cc(F)c5c(c4)C(C)(C)C(C)(C)C5(C)C)nc3)n2)cc1
InChIInChI=1S/C43H49FN4/c1-39(2,3)30-18-13-26(14-19-30)36-46-37(27-15-20-31(21-16-27)40(4,5)6)48-38(47-36)28-17-22-34(45-25-28)29-23-32-35(33(44)24-29)42(9,10)43(11,12)41(32,7)8/h13-25H,1-12H3
InChIKeyMZAFMFPEQJADND-UHFFFAOYSA-N
XLogP11.26
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.89
LogP ≤ 511.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-bis(4-tert-butylphenyl)-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-bis(4-tert-butylphenyl)-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-bis(4-tert-butylphenyl)-6-[6-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazine (CID 118857240) is 2,4-bis(4-tert-butylphenyl)-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-bis(4-tert-butylphenyl)-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-bis(4-tert-butylphenyl)-6-[6-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazine is CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4cc(F)c5c(c4)C(C)(C)C(C)(C)C5(C)C)nc3)n2)cc1.
What is the InChIKey of 2,4-bis(4-tert-butylphenyl)-6-[6-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazine?
The InChIKey is MZAFMFPEQJADND-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H49FN4/c1-39(2,3)30-18-13-26(14-19-30)36-46-37(27-15-20-31(21-16-27)40(4,5)6)48-38(47-36)28-17-22-34(45-25-28)29-23-32-35(33(44)24-29)42(9,10)43(11,12)41(32,7)8/h13-25H,1-12H3.
What are the key properties of 2,4-bis(4-tert-butylphenyl)-6-[6-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazine?
2,4-bis(4-tert-butylphenyl)-6-[6-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazine has a molecular weight of 640.89 g/mol, XLogP of 11.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-tert-butylphenyl)-6-[6-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazine is sourced from PubChem (CID 118857240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).