3-phenyl-2-(trifluoromethyl)-1,10-phenanthroline

C19H11F3N2 — CID 135026325

IUPAC3-phenyl-2-(trifluoromethyl)-1,10-phenanthroline
SMILESFC(F)(F)c1nc2c(ccc3cccnc32)cc1-c1ccccc1
InChIInChI=1S/C19H11F3N2/c20-19(21,22)18-15(12-5-2-1-3-6-12)11-14-9-8-13-7-4-10-23-16(13)17(14)24-18/h1-11H
InChIKeyVLKJTLXHZHAZOE-UHFFFAOYSA-N
MW324.31 g/mol
LogP5.47
Rot. Bonds1

About 3-phenyl-2-(trifluoromethyl)-1,10-phenanthroline

3-phenyl-2-(trifluoromethyl)-1,10-phenanthroline (PubChem CID 135026325) has the molecular formula C19H11F3N2 and a molecular weight of 324.31 g/mol. Its IUPAC name is 3-phenyl-2-(trifluoromethyl)-1,10-phenanthroline.

Molecular Properties

Compound Name3-phenyl-2-(trifluoromethyl)-1,10-phenanthroline
PubChem CID135026325
Molecular FormulaC19H11F3N2
Molecular Weight324.31 g/mol
Exact Mass324.09
IUPAC Name3-phenyl-2-(trifluoromethyl)-1,10-phenanthroline
SMILESFC(F)(F)c1nc2c(ccc3cccnc32)cc1-c1ccccc1
InChIInChI=1S/C19H11F3N2/c20-19(21,22)18-15(12-5-2-1-3-6-12)11-14-9-8-13-7-4-10-23-16(13)17(14)24-18/h1-11H
InChIKeyVLKJTLXHZHAZOE-UHFFFAOYSA-N
XLogP5.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.31
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-phenyl-2-(trifluoromethyl)-1,10-phenanthroline 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

1,10-Phenanthroline
CID 1318
5-Methylquinoxaline
CID 61670
2,9-Dimethyl-1,10-phenanthroline
CID 65237
4,7-Diphenyl-1,10-phenanthroline
CID 72812
Bathocuproine
CID 65149
1,10-Phenanthroline hydrate
CID 21226
5-Methyl-1,10-phenanthroline
CID 72791
4,7-Dimethyl-1,10-phenanthroline
CID 72792
3,4,7,8-Tetramethyl-1,10-phenanthroline
CID 74265
4-Methyl-1,10-phenanthroline
CID 93149
4,7-Phenanthroline
CID 67472
8-Aminoquinoline
CID 11359

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(trifluoromethyl)-1,10-phenanthroline?
The IUPAC name of 3-phenyl-2-(trifluoromethyl)-1,10-phenanthroline (CID 135026325) is 3-phenyl-2-(trifluoromethyl)-1,10-phenanthroline.
What is the SMILES notation for 3-phenyl-2-(trifluoromethyl)-1,10-phenanthroline?
The canonical SMILES for 3-phenyl-2-(trifluoromethyl)-1,10-phenanthroline is FC(F)(F)c1nc2c(ccc3cccnc32)cc1-c1ccccc1.
What is the InChIKey of 3-phenyl-2-(trifluoromethyl)-1,10-phenanthroline?
The InChIKey is VLKJTLXHZHAZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N2/c20-19(21,22)18-15(12-5-2-1-3-6-12)11-14-9-8-13-7-4-10-23-16(13)17(14)24-18/h1-11H.
What are the key properties of 3-phenyl-2-(trifluoromethyl)-1,10-phenanthroline?
3-phenyl-2-(trifluoromethyl)-1,10-phenanthroline has a molecular weight of 324.31 g/mol, XLogP of 5.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(trifluoromethyl)-1,10-phenanthroline is sourced from PubChem (CID 135026325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).