2-bromo-8-propan-2-ylphenazine

C15H13BrN2 — CID 119028481

IUPAC2-bromo-8-propan-2-ylphenazine
SMILESCC(C)c1ccc2nc3ccc(Br)cc3nc2c1
InChIInChI=1S/C15H13BrN2/c1-9(2)10-3-5-12-14(7-10)18-15-8-11(16)4-6-13(15)17-12/h3-9H,1-2H3
InChIKeyCHXRUNBBSYPIEG-UHFFFAOYSA-N
MW301.19 g/mol
LogP4.67
Rot. Bonds1

About 2-bromo-8-propan-2-ylphenazine

2-bromo-8-propan-2-ylphenazine (PubChem CID 119028481) has the molecular formula C15H13BrN2 and a molecular weight of 301.19 g/mol. Its IUPAC name is 2-bromo-8-propan-2-ylphenazine.

Molecular Properties

Compound Name2-bromo-8-propan-2-ylphenazine
PubChem CID119028481
Molecular FormulaC15H13BrN2
Molecular Weight301.19 g/mol
Exact Mass300.03
IUPAC Name2-bromo-8-propan-2-ylphenazine
SMILESCC(C)c1ccc2nc3ccc(Br)cc3nc2c1
InChIInChI=1S/C15H13BrN2/c1-9(2)10-3-5-12-14(7-10)18-15-8-11(16)4-6-13(15)17-12/h3-9H,1-2H3
InChIKeyCHXRUNBBSYPIEG-UHFFFAOYSA-N
XLogP4.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-8-propan-2-ylphenazine?
The IUPAC name of 2-bromo-8-propan-2-ylphenazine (CID 119028481) is 2-bromo-8-propan-2-ylphenazine.
What is the SMILES notation for 2-bromo-8-propan-2-ylphenazine?
The canonical SMILES for 2-bromo-8-propan-2-ylphenazine is CC(C)c1ccc2nc3ccc(Br)cc3nc2c1.
What is the InChIKey of 2-bromo-8-propan-2-ylphenazine?
The InChIKey is CHXRUNBBSYPIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2/c1-9(2)10-3-5-12-14(7-10)18-15-8-11(16)4-6-13(15)17-12/h3-9H,1-2H3.
What are the key properties of 2-bromo-8-propan-2-ylphenazine?
2-bromo-8-propan-2-ylphenazine has a molecular weight of 301.19 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-8-propan-2-ylphenazine is sourced from PubChem (CID 119028481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).