11-bromo-6,7-dimethylimidazo[1,2-f]phenanthridine

C17H13BrN2 — CID 135379707

IUPAC11-bromo-6,7-dimethylimidazo[1,2-f]phenanthridine
SMILESCc1cc2c3ccc(Br)cc3c3nccn3c2cc1C
InChIInChI=1S/C17H13BrN2/c1-10-7-14-13-4-3-12(18)9-15(13)17-19-5-6-20(17)16(14)8-11(10)2/h3-9H,1-2H3
InChIKeyZHICPZBQRDIMLX-UHFFFAOYSA-N
MW325.21 g/mol
LogP5.02
Rot. Bonds

About 11-bromo-6,7-dimethylimidazo[1,2-f]phenanthridine

11-bromo-6,7-dimethylimidazo[1,2-f]phenanthridine (PubChem CID 135379707) has the molecular formula C17H13BrN2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 11-bromo-6,7-dimethylimidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name11-bromo-6,7-dimethylimidazo[1,2-f]phenanthridine
PubChem CID135379707
Molecular FormulaC17H13BrN2
Molecular Weight325.21 g/mol
Exact Mass324.03
IUPAC Name11-bromo-6,7-dimethylimidazo[1,2-f]phenanthridine
SMILESCc1cc2c3ccc(Br)cc3c3nccn3c2cc1C
InChIInChI=1S/C17H13BrN2/c1-10-7-14-13-4-3-12(18)9-15(13)17-19-5-6-20(17)16(14)8-11(10)2/h3-9H,1-2H3
InChIKeyZHICPZBQRDIMLX-UHFFFAOYSA-N
XLogP5.02
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.21
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 11-bromo-6,7-dimethylimidazo[1,2-f]phenanthridine 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 11-bromo-6,7-dimethylimidazo[1,2-f]phenanthridine?
The IUPAC name of 11-bromo-6,7-dimethylimidazo[1,2-f]phenanthridine (CID 135379707) is 11-bromo-6,7-dimethylimidazo[1,2-f]phenanthridine.
What is the SMILES notation for 11-bromo-6,7-dimethylimidazo[1,2-f]phenanthridine?
The canonical SMILES for 11-bromo-6,7-dimethylimidazo[1,2-f]phenanthridine is Cc1cc2c3ccc(Br)cc3c3nccn3c2cc1C.
What is the InChIKey of 11-bromo-6,7-dimethylimidazo[1,2-f]phenanthridine?
The InChIKey is ZHICPZBQRDIMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2/c1-10-7-14-13-4-3-12(18)9-15(13)17-19-5-6-20(17)16(14)8-11(10)2/h3-9H,1-2H3.
What are the key properties of 11-bromo-6,7-dimethylimidazo[1,2-f]phenanthridine?
11-bromo-6,7-dimethylimidazo[1,2-f]phenanthridine has a molecular weight of 325.21 g/mol, XLogP of 5.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-bromo-6,7-dimethylimidazo[1,2-f]phenanthridine is sourced from PubChem (CID 135379707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).