6-benzyl-2-(trifluoromethyl)phenanthridine

C21H14F3N — CID 154722161

IUPAC6-benzyl-2-(trifluoromethyl)phenanthridine
SMILESFC(F)(F)c1ccc2nc(Cc3ccccc3)c3ccccc3c2c1
InChIInChI=1S/C21H14F3N/c22-21(23,24)15-10-11-19-18(13-15)16-8-4-5-9-17(16)20(25-19)12-14-6-2-1-3-7-14/h1-11,13H,12H2
InChIKeyJRWFCTULCGBCOE-UHFFFAOYSA-N
MW337.34 g/mol
LogP6.00
Rot. Bonds2

About 6-benzyl-2-(trifluoromethyl)phenanthridine

6-benzyl-2-(trifluoromethyl)phenanthridine (PubChem CID 154722161) has the molecular formula C21H14F3N and a molecular weight of 337.34 g/mol. Its IUPAC name is 6-benzyl-2-(trifluoromethyl)phenanthridine.

Molecular Properties

Compound Name6-benzyl-2-(trifluoromethyl)phenanthridine
PubChem CID154722161
Molecular FormulaC21H14F3N
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Name6-benzyl-2-(trifluoromethyl)phenanthridine
SMILESFC(F)(F)c1ccc2nc(Cc3ccccc3)c3ccccc3c2c1
InChIInChI=1S/C21H14F3N/c22-21(23,24)15-10-11-19-18(13-15)16-8-4-5-9-17(16)20(25-19)12-14-6-2-1-3-7-14/h1-11,13H,12H2
InChIKeyJRWFCTULCGBCOE-UHFFFAOYSA-N
XLogP6.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.34
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-4-[3-(trifluoromethyl)phenoxy]phthalazine
CID 6404481
2,11-bis(trifluoromethyl)picene
CID 88902337
3,4-dipropyl-2,6-bis(trifluoromethyl)quinoline
CID 162414555
1-benzyl-3,5-bis(trifluoromethyl)benzene
CID 11993967
1,2-dibenzyl-5-(trifluoromethyl)benzimidazole
CID 46310965
2-(trifluoromethyl)benzo[c]phenanthrene
CID 44623566
2,4-dimethyl-6-(trifluoromethyl)quinoline;ethane
CID 145015225
4-phenyl-2,6-bis(trifluoromethyl)quinoline
CID 135018944
2-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one
CID 132503374
6-[(4-nitrophenyl)methyl]phenanthridine
CID 154722212
2-[2-benzyl-5-(trifluoromethyl)benzimidazol-1-yl]ethanol
CID 46308123
3-benzyl-5-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 10568339

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-(trifluoromethyl)phenanthridine?
The IUPAC name of 6-benzyl-2-(trifluoromethyl)phenanthridine (CID 154722161) is 6-benzyl-2-(trifluoromethyl)phenanthridine.
What is the SMILES notation for 6-benzyl-2-(trifluoromethyl)phenanthridine?
The canonical SMILES for 6-benzyl-2-(trifluoromethyl)phenanthridine is FC(F)(F)c1ccc2nc(Cc3ccccc3)c3ccccc3c2c1.
What is the InChIKey of 6-benzyl-2-(trifluoromethyl)phenanthridine?
The InChIKey is JRWFCTULCGBCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N/c22-21(23,24)15-10-11-19-18(13-15)16-8-4-5-9-17(16)20(25-19)12-14-6-2-1-3-7-14/h1-11,13H,12H2.
What are the key properties of 6-benzyl-2-(trifluoromethyl)phenanthridine?
6-benzyl-2-(trifluoromethyl)phenanthridine has a molecular weight of 337.34 g/mol, XLogP of 6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-(trifluoromethyl)phenanthridine is sourced from PubChem (CID 154722161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).