3-bromo-10-phenylphenoxazine

C18H12BrNO — CID 13272483

IUPAC3-bromo-10-phenylphenoxazine
SMILESBrc1ccc2c(c1)Oc1ccccc1N2c1ccccc1
InChIInChI=1S/C18H12BrNO/c19-13-10-11-16-18(12-13)21-17-9-5-4-8-15(17)20(16)14-6-2-1-3-7-14/h1-12H
InChIKeyKGOHTFSDJIMPMN-UHFFFAOYSA-N
MW338.20 g/mol
LogP6.02
Rot. Bonds1

About 3-bromo-10-phenylphenoxazine

3-bromo-10-phenylphenoxazine (PubChem CID 13272483) has the molecular formula C18H12BrNO and a molecular weight of 338.20 g/mol. Its IUPAC name is 3-bromo-10-phenylphenoxazine.

Molecular Properties

Compound Name3-bromo-10-phenylphenoxazine
PubChem CID13272483
Molecular FormulaC18H12BrNO
Molecular Weight338.20 g/mol
Exact Mass337.01
IUPAC Name3-bromo-10-phenylphenoxazine
SMILESBrc1ccc2c(c1)Oc1ccccc1N2c1ccccc1
InChIInChI=1S/C18H12BrNO/c19-13-10-11-16-18(12-13)21-17-9-5-4-8-15(17)20(16)14-6-2-1-3-7-14/h1-12H
InChIKeyKGOHTFSDJIMPMN-UHFFFAOYSA-N
XLogP6.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.20
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-bromo-10-phenylphenoxazine 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 3-bromo-10-phenylphenoxazine?
The IUPAC name of 3-bromo-10-phenylphenoxazine (CID 13272483) is 3-bromo-10-phenylphenoxazine.
What is the SMILES notation for 3-bromo-10-phenylphenoxazine?
The canonical SMILES for 3-bromo-10-phenylphenoxazine is Brc1ccc2c(c1)Oc1ccccc1N2c1ccccc1.
What is the InChIKey of 3-bromo-10-phenylphenoxazine?
The InChIKey is KGOHTFSDJIMPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrNO/c19-13-10-11-16-18(12-13)21-17-9-5-4-8-15(17)20(16)14-6-2-1-3-7-14/h1-12H.
What are the key properties of 3-bromo-10-phenylphenoxazine?
3-bromo-10-phenylphenoxazine has a molecular weight of 338.20 g/mol, XLogP of 6.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-10-phenylphenoxazine is sourced from PubChem (CID 13272483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).