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

C26H21F6N3 — CID 17344561

IUPAC1-benzyl-2-phenyl-6-(2-phenylethyl)-4,4-bis(trifluoromethyl)-1,3,5-triazine
SMILESFC(F)(F)C1(C(F)(F)F)N=C(CCc2ccccc2)N(Cc2ccccc2)C(c2ccccc2)=N1
InChIInChI=1S/C26H21F6N3/c27-25(28,29)24(26(30,31)32)33-22(17-16-19-10-4-1-5-11-19)35(18-20-12-6-2-7-13-20)23(34-24)21-14-8-3-9-15-21/h1-15H,16-18H2
InChIKeyMHONADHCGYDGEK-UHFFFAOYSA-N
MW489.46 g/mol
LogP6.80
Rot. Bonds6

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

1-benzyl-2-phenyl-6-(2-phenylethyl)-4,4-bis(trifluoromethyl)-1,3,5-triazine (PubChem CID 17344561) has the molecular formula C26H21F6N3 and a molecular weight of 489.46 g/mol. Its IUPAC name is 1-benzyl-2-phenyl-6-(2-phenylethyl)-4,4-bis(trifluoromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name1-benzyl-2-phenyl-6-(2-phenylethyl)-4,4-bis(trifluoromethyl)-1,3,5-triazine
PubChem CID17344561
Molecular FormulaC26H21F6N3
Molecular Weight489.46 g/mol
Exact Mass489.16
IUPAC Name1-benzyl-2-phenyl-6-(2-phenylethyl)-4,4-bis(trifluoromethyl)-1,3,5-triazine
SMILESFC(F)(F)C1(C(F)(F)F)N=C(CCc2ccccc2)N(Cc2ccccc2)C(c2ccccc2)=N1
InChIInChI=1S/C26H21F6N3/c27-25(28,29)24(26(30,31)32)33-22(17-16-19-10-4-1-5-11-19)35(18-20-12-6-2-7-13-20)23(34-24)21-14-8-3-9-15-21/h1-15H,16-18H2
InChIKeyMHONADHCGYDGEK-UHFFFAOYSA-N
XLogP6.80
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.46
LogP ≤ 56.80
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
2-(4-chlorophenyl)-6-phenyl-1-(2-phenylethyl)-4,4-bis(trifluoromethyl)-1,3,5-triazine
CID 17344399
2-benzyl-1-cyclopentyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine
CID 17344547
(5S)-3-[(4-fluorophenyl)methyl]-5-hydroxy-2-phenyl-5-(trifluoromethyl)imidazol-4-one
CID 7623321
2-butyl-1-cyclopentyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine
CID 17344587
N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide
CID 17344368
3-[(4-methoxyphenyl)methyl]-4-phenyl-6,6-bis(trifluoromethyl)-1H-1,3,5-triazin-2-one
CID 17344461
(5S)-3-benzyl-5-[(6-methyl-2-pyridinyl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one
CID 29072701
(5R)-3-benzyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one
CID 51971376
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-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide
CID 29098729

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-phenyl-6-(2-phenylethyl)-4,4-bis(trifluoromethyl)-1,3,5-triazine?
The IUPAC name of 1-benzyl-2-phenyl-6-(2-phenylethyl)-4,4-bis(trifluoromethyl)-1,3,5-triazine (CID 17344561) is 1-benzyl-2-phenyl-6-(2-phenylethyl)-4,4-bis(trifluoromethyl)-1,3,5-triazine.
What is the SMILES notation for 1-benzyl-2-phenyl-6-(2-phenylethyl)-4,4-bis(trifluoromethyl)-1,3,5-triazine?
The canonical SMILES for 1-benzyl-2-phenyl-6-(2-phenylethyl)-4,4-bis(trifluoromethyl)-1,3,5-triazine is FC(F)(F)C1(C(F)(F)F)N=C(CCc2ccccc2)N(Cc2ccccc2)C(c2ccccc2)=N1.
What is the InChIKey of 1-benzyl-2-phenyl-6-(2-phenylethyl)-4,4-bis(trifluoromethyl)-1,3,5-triazine?
The InChIKey is MHONADHCGYDGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F6N3/c27-25(28,29)24(26(30,31)32)33-22(17-16-19-10-4-1-5-11-19)35(18-20-12-6-2-7-13-20)23(34-24)21-14-8-3-9-15-21/h1-15H,16-18H2.
What are the key properties of 1-benzyl-2-phenyl-6-(2-phenylethyl)-4,4-bis(trifluoromethyl)-1,3,5-triazine?
1-benzyl-2-phenyl-6-(2-phenylethyl)-4,4-bis(trifluoromethyl)-1,3,5-triazine has a molecular weight of 489.46 g/mol, XLogP of 6.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-phenyl-6-(2-phenylethyl)-4,4-bis(trifluoromethyl)-1,3,5-triazine is sourced from PubChem (CID 17344561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).