1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,4,6-triphenylpyridin-1-ium

C32H22F6N+ — CID 162416981

IUPAC1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,4,6-triphenylpyridin-1-ium
SMILESFC(F)(F)c1cc(C[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C32H22F6N/c33-31(34,35)27-16-22(17-28(20-27)32(36,37)38)21-39-29(24-12-6-2-7-13-24)18-26(23-10-4-1-5-11-23)19-30(39)25-14-8-3-9-15-25/h1-20H,21H2/q+1
InChIKeyBWLBPSVJANZDMB-UHFFFAOYSA-N
MW534.52 g/mol
LogP9.06
Rot. Bonds5

About 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,4,6-triphenylpyridin-1-ium

1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,4,6-triphenylpyridin-1-ium (PubChem CID 162416981) has the molecular formula C32H22F6N+ and a molecular weight of 534.52 g/mol. Its IUPAC name is 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,4,6-triphenylpyridin-1-ium.

Molecular Properties

Compound Name1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,4,6-triphenylpyridin-1-ium
PubChem CID162416981
Molecular FormulaC32H22F6N+
Molecular Weight534.52 g/mol
Exact Mass534.17
IUPAC Name1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,4,6-triphenylpyridin-1-ium
SMILESFC(F)(F)c1cc(C[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C32H22F6N/c33-31(34,35)27-16-22(17-28(20-27)32(36,37)38)21-39-29(24-12-6-2-7-13-24)18-26(23-10-4-1-5-11-23)19-30(39)25-14-8-3-9-15-25/h1-20H,21H2/q+1
InChIKeyBWLBPSVJANZDMB-UHFFFAOYSA-N
XLogP9.06
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.52
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,4,6-triphenylpyridin-1-ium 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

Benzenamine, 4-(2,6-diphenyl-4-pyridinyl)-N,N-dimethyl-
CID 93126
1,2,4,6-Tetraphenylpyridin-1-ium perchlorate
CID 12477066
2,4,6-Triphenylpyridine
CID 136370
1-Butyl-2,4,6-triphenylpyridin-1-ium; tetrafluoroboranuide
CID 12377997
1-Methyl-2,4,6-triphenylpyridinium tetrafluoroborate
CID 12377995
1-(Triphenylmethyl)pyridinium tetrafluoroborate
CID 9909412
1,2-Dimethyl-4,6-bis(4-methylphenyl)pyridin-1-ium
CID 3092033
1-Methyl-2,6-bis(2-phenylethyl)pyridin-1-ium
CID 11178961
1-(2-Methylphenyl)-2,4,6-triphenylpyridin-1-ium perchlorate
CID 12627137
2,4,6-Tris(4-methylphenyl)-1-phenylpyridin-1-ium perchlorate
CID 12627143
2-(4-Methylphenyl)-1,4,6-triphenylpyridin-1-ium perchlorate
CID 12627144
2,4,6-Tris(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyridin-1-ium perchlorate
CID 12647563

Frequently Asked Questions

What is the IUPAC name of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,4,6-triphenylpyridin-1-ium?
The IUPAC name of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,4,6-triphenylpyridin-1-ium (CID 162416981) is 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,4,6-triphenylpyridin-1-ium.
What is the SMILES notation for 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,4,6-triphenylpyridin-1-ium?
The canonical SMILES for 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,4,6-triphenylpyridin-1-ium is FC(F)(F)c1cc(C[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,4,6-triphenylpyridin-1-ium?
The InChIKey is BWLBPSVJANZDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22F6N/c33-31(34,35)27-16-22(17-28(20-27)32(36,37)38)21-39-29(24-12-6-2-7-13-24)18-26(23-10-4-1-5-11-23)19-30(39)25-14-8-3-9-15-25/h1-20H,21H2/q+1.
What are the key properties of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,4,6-triphenylpyridin-1-ium?
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,4,6-triphenylpyridin-1-ium has a molecular weight of 534.52 g/mol, XLogP of 9.06, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,4,6-triphenylpyridin-1-ium is sourced from PubChem (CID 162416981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).