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

C23H21F6N3 — CID 17344547

IUPAC2-benzyl-1-cyclopentyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine
SMILESFC(F)(F)C1(C(F)(F)F)N=C(Cc2ccccc2)N(C2CCCC2)C(c2ccccc2)=N1
InChIInChI=1S/C23H21F6N3/c24-22(25,26)21(23(27,28)29)30-19(15-16-9-3-1-4-10-16)32(18-13-7-8-14-18)20(31-21)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-15H2
InChIKeySQNQJZSGWPPZAT-UHFFFAOYSA-N
MW453.43 g/mol
LogP6.15
Rot. Bonds4

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

2-benzyl-1-cyclopentyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine (PubChem CID 17344547) has the molecular formula C23H21F6N3 and a molecular weight of 453.43 g/mol. Its IUPAC name is 2-benzyl-1-cyclopentyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-benzyl-1-cyclopentyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine
PubChem CID17344547
Molecular FormulaC23H21F6N3
Molecular Weight453.43 g/mol
Exact Mass453.16
IUPAC Name2-benzyl-1-cyclopentyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine
SMILESFC(F)(F)C1(C(F)(F)F)N=C(Cc2ccccc2)N(C2CCCC2)C(c2ccccc2)=N1
InChIInChI=1S/C23H21F6N3/c24-22(25,26)21(23(27,28)29)30-19(15-16-9-3-1-4-10-16)32(18-13-7-8-14-18)20(31-21)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-15H2
InChIKeySQNQJZSGWPPZAT-UHFFFAOYSA-N
XLogP6.15
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.43
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-1-cyclopentyl-6-phenyl-4,4-bis(trifluoromethyl)-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-benzyl-1-cyclopentyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine?
The IUPAC name of 2-benzyl-1-cyclopentyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine (CID 17344547) is 2-benzyl-1-cyclopentyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine.
What is the SMILES notation for 2-benzyl-1-cyclopentyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine?
The canonical SMILES for 2-benzyl-1-cyclopentyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine is FC(F)(F)C1(C(F)(F)F)N=C(Cc2ccccc2)N(C2CCCC2)C(c2ccccc2)=N1.
What is the InChIKey of 2-benzyl-1-cyclopentyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine?
The InChIKey is SQNQJZSGWPPZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F6N3/c24-22(25,26)21(23(27,28)29)30-19(15-16-9-3-1-4-10-16)32(18-13-7-8-14-18)20(31-21)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-15H2.
What are the key properties of 2-benzyl-1-cyclopentyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine?
2-benzyl-1-cyclopentyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine has a molecular weight of 453.43 g/mol, XLogP of 6.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-cyclopentyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine is sourced from PubChem (CID 17344547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).