2,4,6-tris[4-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine

C57H33F9N6 — CID 147737004

IUPAC2,4,6-tris[4-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine
SMILESFC(F)(F)c1ccc(-c2ccccn2)c(-c2ccc(-c3nc(-c4ccc(-c5cc(C(F)(F)F)ccc5-c5ccccn5)cc4)nc(-c4ccc(-c5cc(C(F)(F)F)ccc5-c5ccccn5)cc4)n3)cc2)c1
InChIInChI=1S/C57H33F9N6/c58-55(59,60)40-22-25-43(49-7-1-4-28-67-49)46(31-40)34-10-16-37(17-11-34)52-70-53(38-18-12-35(13-19-38)47-32-41(56(61,62)63)23-26-44(47)50-8-2-5-29-68-50)72-54(71-52)39-20-14-36(15-21-39)48-33-42(57(64,65)66)24-27-45(48)51-9-3-6-30-69-51/h1-33H
InChIKeyGZOKXFDTECYJDN-UHFFFAOYSA-N
MW972.92 g/mol
LogP16.12
Rot. Bonds9

About 2,4,6-tris[4-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine

2,4,6-tris[4-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine (PubChem CID 147737004) has the molecular formula C57H33F9N6 and a molecular weight of 972.92 g/mol. Its IUPAC name is 2,4,6-tris[4-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris[4-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine
PubChem CID147737004
Molecular FormulaC57H33F9N6
Molecular Weight972.92 g/mol
Exact Mass972.26
IUPAC Name2,4,6-tris[4-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine
SMILESFC(F)(F)c1ccc(-c2ccccn2)c(-c2ccc(-c3nc(-c4ccc(-c5cc(C(F)(F)F)ccc5-c5ccccn5)cc4)nc(-c4ccc(-c5cc(C(F)(F)F)ccc5-c5ccccn5)cc4)n3)cc2)c1
InChIInChI=1S/C57H33F9N6/c58-55(59,60)40-22-25-43(49-7-1-4-28-67-49)46(31-40)34-10-16-37(17-11-34)52-70-53(38-18-12-35(13-19-38)47-32-41(56(61,62)63)23-26-44(47)50-8-2-5-29-68-50)72-54(71-52)39-20-14-36(15-21-39)48-33-42(57(64,65)66)24-27-45(48)51-9-3-6-30-69-51/h1-33H
InChIKeyGZOKXFDTECYJDN-UHFFFAOYSA-N
XLogP16.12
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500972.92
LogP ≤ 516.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,4,6-tris[4-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]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

Related Compounds

Azd-3839
CID 46202416
(1S)-4-fluoro-1-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-[2-(trifluoromethyl)pyridin-4-yl]-1H-isoindol-3-amine
CID 46206292
1-(2-(Difluoromethyl)pyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine
CID 46202415
4-Fluoro-1-(4-fluoro-3-(pyrimidin-5-yl)phenyl)-1-(2-(trifluoromethyl)pyridin-4-yl)-1H-isoindol-3-amine
CID 46206291
4-Fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1-(2-(trifluoromethyl)pyridin-4-yl)-1H-isoindol-3-amine
CID 46206642
5-methyl-2-(2-propan-2-ylphenyl)-N-[[4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]methyl]pyrimidin-4-amine
CID 60167911
3-(3-Pyrimidin-5-ylphenyl)-3-[2-(trifluoromethyl)-4-pyridinyl]isoindol-1-amine
CID 71449972
(3S)-3-[2-(difluoromethyl)-4-pyridinyl]-5,7-difluoro-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
CID 71451832
(3R)-7-fluoro-3-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-[2-(trifluoromethyl)-4-pyridinyl]isoindol-1-amine
CID 71455339
2,4,6-Tris(3-(3-pyridyl)phenyl)-1,3,5-triazine
CID 101523658
4-{4-[6-Methyl-4-(4-trifluoromethyl-phenyl)-pyridin-2-yl]-pyrimidin-2-yl}-pyridin-2-ylamine
CID 24760659
5-{3-[4-Trifluoromethyl-6-(6-trifluoromethyl-pyridin-3-yl)-pyrimidin-2-yl]-phenyl}-pyridin-2-ylamine
CID 25096944

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris[4-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine?
The IUPAC name of 2,4,6-tris[4-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine (CID 147737004) is 2,4,6-tris[4-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris[4-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris[4-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine is FC(F)(F)c1ccc(-c2ccccn2)c(-c2ccc(-c3nc(-c4ccc(-c5cc(C(F)(F)F)ccc5-c5ccccn5)cc4)nc(-c4ccc(-c5cc(C(F)(F)F)ccc5-c5ccccn5)cc4)n3)cc2)c1.
What is the InChIKey of 2,4,6-tris[4-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine?
The InChIKey is GZOKXFDTECYJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H33F9N6/c58-55(59,60)40-22-25-43(49-7-1-4-28-67-49)46(31-40)34-10-16-37(17-11-34)52-70-53(38-18-12-35(13-19-38)47-32-41(56(61,62)63)23-26-44(47)50-8-2-5-29-68-50)72-54(71-52)39-20-14-36(15-21-39)48-33-42(57(64,65)66)24-27-45(48)51-9-3-6-30-69-51/h1-33H.
What are the key properties of 2,4,6-tris[4-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine?
2,4,6-tris[4-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine has a molecular weight of 972.92 g/mol, XLogP of 16.12, 9 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-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 147737004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).