2-(4-chlorophenyl)-6-phenyl-1-(2-phenylethyl)-4,4-bis(trifluoromethyl)-1,3,5-triazine

C25H18ClF6N3 — CID 17344399

IUPAC2-(4-chlorophenyl)-6-phenyl-1-(2-phenylethyl)-4,4-bis(trifluoromethyl)-1,3,5-triazine
SMILESFC(F)(F)C1(C(F)(F)F)N=C(c2ccccc2)N(CCc2ccccc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C25H18ClF6N3/c26-20-13-11-19(12-14-20)22-34-23(24(27,28)29,25(30,31)32)33-21(18-9-5-2-6-10-18)35(22)16-15-17-7-3-1-4-8-17/h1-14H,15-16H2
InChIKeyYPITYJDQBXUQLZ-UHFFFAOYSA-N
MW509.88 g/mol
LogP6.91
Rot. Bonds5

About 2-(4-chlorophenyl)-6-phenyl-1-(2-phenylethyl)-4,4-bis(trifluoromethyl)-1,3,5-triazine

2-(4-chlorophenyl)-6-phenyl-1-(2-phenylethyl)-4,4-bis(trifluoromethyl)-1,3,5-triazine (PubChem CID 17344399) has the molecular formula C25H18ClF6N3 and a molecular weight of 509.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-phenyl-1-(2-phenylethyl)-4,4-bis(trifluoromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-phenyl-1-(2-phenylethyl)-4,4-bis(trifluoromethyl)-1,3,5-triazine
PubChem CID17344399
Molecular FormulaC25H18ClF6N3
Molecular Weight509.88 g/mol
Exact Mass509.11
IUPAC Name2-(4-chlorophenyl)-6-phenyl-1-(2-phenylethyl)-4,4-bis(trifluoromethyl)-1,3,5-triazine
SMILESFC(F)(F)C1(C(F)(F)F)N=C(c2ccccc2)N(CCc2ccccc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C25H18ClF6N3/c26-20-13-11-19(12-14-20)22-34-23(24(27,28)29,25(30,31)32)33-21(18-9-5-2-6-10-18)35(22)16-15-17-7-3-1-4-8-17/h1-14H,15-16H2
InChIKeyYPITYJDQBXUQLZ-UHFFFAOYSA-N
XLogP6.91
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.88
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-2,6-diphenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine
CID 17344391
1-benzyl-2-phenyl-6-(2-phenylethyl)-4,4-bis(trifluoromethyl)-1,3,5-triazine
CID 17344561
2-(2,4-dichlorophenyl)-1-(oxolan-2-ylmethyl)-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine
CID 17344534
4-tert-butyl-N-[(4R)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 28963503
N-[5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]pentanamide
CID 17344604
4-chloro-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344357
3-methyl-N-[(4S)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 28922592
3-(4-chlorophenyl)sulfanyl-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110543224
2-(4-chlorophenyl)-1-(2-phenylethyl)benzimidazole
CID 5095173
2-[2-(4-chlorophenyl)ethyl]benzotriazole
CID 134867987
1-[(5R)-3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenylbutan-1-one
CID 92849273
1-[(5S)-3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenylbutan-1-one
CID 92849274

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-phenyl-1-(2-phenylethyl)-4,4-bis(trifluoromethyl)-1,3,5-triazine?
The IUPAC name of 2-(4-chlorophenyl)-6-phenyl-1-(2-phenylethyl)-4,4-bis(trifluoromethyl)-1,3,5-triazine (CID 17344399) is 2-(4-chlorophenyl)-6-phenyl-1-(2-phenylethyl)-4,4-bis(trifluoromethyl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-chlorophenyl)-6-phenyl-1-(2-phenylethyl)-4,4-bis(trifluoromethyl)-1,3,5-triazine?
The canonical SMILES for 2-(4-chlorophenyl)-6-phenyl-1-(2-phenylethyl)-4,4-bis(trifluoromethyl)-1,3,5-triazine is FC(F)(F)C1(C(F)(F)F)N=C(c2ccccc2)N(CCc2ccccc2)C(c2ccc(Cl)cc2)=N1.
What is the InChIKey of 2-(4-chlorophenyl)-6-phenyl-1-(2-phenylethyl)-4,4-bis(trifluoromethyl)-1,3,5-triazine?
The InChIKey is YPITYJDQBXUQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClF6N3/c26-20-13-11-19(12-14-20)22-34-23(24(27,28)29,25(30,31)32)33-21(18-9-5-2-6-10-18)35(22)16-15-17-7-3-1-4-8-17/h1-14H,15-16H2.
What are the key properties of 2-(4-chlorophenyl)-6-phenyl-1-(2-phenylethyl)-4,4-bis(trifluoromethyl)-1,3,5-triazine?
2-(4-chlorophenyl)-6-phenyl-1-(2-phenylethyl)-4,4-bis(trifluoromethyl)-1,3,5-triazine has a molecular weight of 509.88 g/mol, XLogP of 6.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-phenyl-1-(2-phenylethyl)-4,4-bis(trifluoromethyl)-1,3,5-triazine is sourced from PubChem (CID 17344399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).