2,4-bis(4-tert-butylphenyl)-6-[2,3,5,6-tetrafluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine

C35H38BF4N3O2 — CID 162223333

IUPAC2,4-bis(4-tert-butylphenyl)-6-[2,3,5,6-tetrafluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3c(F)c(F)c(B4OC(C)(C)C(C)(C)O4)c(F)c3F)n2)cc1
InChIInChI=1S/C35H38BF4N3O2/c1-32(2,3)21-15-11-19(12-16-21)29-41-30(20-13-17-22(18-14-20)33(4,5)6)43-31(42-29)23-25(37)27(39)24(28(40)26(23)38)36-44-34(7,8)35(9,10)45-36/h11-18H,1-10H3
InChIKeyZUKRVQFKGYAEED-UHFFFAOYSA-N
MW619.51 g/mol
LogP8.32
Rot. Bonds4

About 2,4-bis(4-tert-butylphenyl)-6-[2,3,5,6-tetrafluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine

2,4-bis(4-tert-butylphenyl)-6-[2,3,5,6-tetrafluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine (PubChem CID 162223333) has the molecular formula C35H38BF4N3O2 and a molecular weight of 619.51 g/mol. Its IUPAC name is 2,4-bis(4-tert-butylphenyl)-6-[2,3,5,6-tetrafluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(4-tert-butylphenyl)-6-[2,3,5,6-tetrafluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
PubChem CID162223333
Molecular FormulaC35H38BF4N3O2
Molecular Weight619.51 g/mol
Exact Mass619.30
IUPAC Name2,4-bis(4-tert-butylphenyl)-6-[2,3,5,6-tetrafluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3c(F)c(F)c(B4OC(C)(C)C(C)(C)O4)c(F)c3F)n2)cc1
InChIInChI=1S/C35H38BF4N3O2/c1-32(2,3)21-15-11-19(12-16-21)29-41-30(20-13-17-22(18-14-20)33(4,5)6)43-31(42-29)23-25(37)27(39)24(28(40)26(23)38)36-44-34(7,8)35(9,10)45-36/h11-18H,1-10H3
InChIKeyZUKRVQFKGYAEED-UHFFFAOYSA-N
XLogP8.32
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.51
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2,4-bis(4-tert-butylphenyl)-6-[2,3,5,6-tetrafluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-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-[2,3,5,6-tetrafluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-bis(4-tert-butylphenyl)-6-[2,3,5,6-tetrafluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine (CID 162223333) is 2,4-bis(4-tert-butylphenyl)-6-[2,3,5,6-tetrafluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(4-tert-butylphenyl)-6-[2,3,5,6-tetrafluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-bis(4-tert-butylphenyl)-6-[2,3,5,6-tetrafluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine is CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3c(F)c(F)c(B4OC(C)(C)C(C)(C)O4)c(F)c3F)n2)cc1.
What is the InChIKey of 2,4-bis(4-tert-butylphenyl)-6-[2,3,5,6-tetrafluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine?
The InChIKey is ZUKRVQFKGYAEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38BF4N3O2/c1-32(2,3)21-15-11-19(12-16-21)29-41-30(20-13-17-22(18-14-20)33(4,5)6)43-31(42-29)23-25(37)27(39)24(28(40)26(23)38)36-44-34(7,8)35(9,10)45-36/h11-18H,1-10H3.
What are the key properties of 2,4-bis(4-tert-butylphenyl)-6-[2,3,5,6-tetrafluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine?
2,4-bis(4-tert-butylphenyl)-6-[2,3,5,6-tetrafluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine has a molecular weight of 619.51 g/mol, XLogP of 8.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-tert-butylphenyl)-6-[2,3,5,6-tetrafluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 162223333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).