7,9-dimethyl-6-(2,2,2-trifluoroethylselanyl)phenanthridine

C17H14F3NSe — CID 155664103

IUPAC7,9-dimethyl-6-(2,2,2-trifluoroethylselanyl)phenanthridine
SMILESCc1cc(C)c2c([Se]CC(F)(F)F)nc3ccccc3c2c1
InChIInChI=1S/C17H14F3NSe/c1-10-7-11(2)15-13(8-10)12-5-3-4-6-14(12)21-16(15)22-9-17(18,19)20/h3-8H,9H2,1-2H3
InChIKeyVATOXCHZICCQTB-UHFFFAOYSA-N
MW368.26 g/mol
LogP4.31
Rot. Bonds2

About 7,9-dimethyl-6-(2,2,2-trifluoroethylselanyl)phenanthridine

7,9-dimethyl-6-(2,2,2-trifluoroethylselanyl)phenanthridine (PubChem CID 155664103) has the molecular formula C17H14F3NSe and a molecular weight of 368.26 g/mol. Its IUPAC name is 7,9-dimethyl-6-(2,2,2-trifluoroethylselanyl)phenanthridine.

Molecular Properties

Compound Name7,9-dimethyl-6-(2,2,2-trifluoroethylselanyl)phenanthridine
PubChem CID155664103
Molecular FormulaC17H14F3NSe
Molecular Weight368.26 g/mol
Exact Mass369.02
IUPAC Name7,9-dimethyl-6-(2,2,2-trifluoroethylselanyl)phenanthridine
SMILESCc1cc(C)c2c([Se]CC(F)(F)F)nc3ccccc3c2c1
InChIInChI=1S/C17H14F3NSe/c1-10-7-11(2)15-13(8-10)12-5-3-4-6-14(12)21-16(15)22-9-17(18,19)20/h3-8H,9H2,1-2H3
InChIKeyVATOXCHZICCQTB-UHFFFAOYSA-N
XLogP4.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,9-dimethyl-6-(2,2,2-trifluoroethylselanyl)phenanthridine?
The IUPAC name of 7,9-dimethyl-6-(2,2,2-trifluoroethylselanyl)phenanthridine (CID 155664103) is 7,9-dimethyl-6-(2,2,2-trifluoroethylselanyl)phenanthridine.
What is the SMILES notation for 7,9-dimethyl-6-(2,2,2-trifluoroethylselanyl)phenanthridine?
The canonical SMILES for 7,9-dimethyl-6-(2,2,2-trifluoroethylselanyl)phenanthridine is Cc1cc(C)c2c([Se]CC(F)(F)F)nc3ccccc3c2c1.
What is the InChIKey of 7,9-dimethyl-6-(2,2,2-trifluoroethylselanyl)phenanthridine?
The InChIKey is VATOXCHZICCQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NSe/c1-10-7-11(2)15-13(8-10)12-5-3-4-6-14(12)21-16(15)22-9-17(18,19)20/h3-8H,9H2,1-2H3.
What are the key properties of 7,9-dimethyl-6-(2,2,2-trifluoroethylselanyl)phenanthridine?
7,9-dimethyl-6-(2,2,2-trifluoroethylselanyl)phenanthridine has a molecular weight of 368.26 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethyl-6-(2,2,2-trifluoroethylselanyl)phenanthridine is sourced from PubChem (CID 155664103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).