1,9-dibromo-10H-phenoxazine

C12H7Br2NO — CID 155929141

IUPAC1,9-dibromo-10H-phenoxazine
SMILESBrc1cccc2c1Nc1c(Br)cccc1O2
InChIInChI=1S/C12H7Br2NO/c13-7-3-1-5-9-11(7)15-12-8(14)4-2-6-10(12)16-9/h1-6,15H
InChIKeyNHNXFPAFMPRREB-UHFFFAOYSA-N
MW341.00 g/mol
LogP5.06
Rot. Bonds

About 1,9-dibromo-10H-phenoxazine

1,9-dibromo-10H-phenoxazine (PubChem CID 155929141) has the molecular formula C12H7Br2NO and a molecular weight of 341.00 g/mol. Its IUPAC name is 1,9-dibromo-10H-phenoxazine.

Molecular Properties

Compound Name1,9-dibromo-10H-phenoxazine
PubChem CID155929141
Molecular FormulaC12H7Br2NO
Molecular Weight341.00 g/mol
Exact Mass338.89
IUPAC Name1,9-dibromo-10H-phenoxazine
SMILESBrc1cccc2c1Nc1c(Br)cccc1O2
InChIInChI=1S/C12H7Br2NO/c13-7-3-1-5-9-11(7)15-12-8(14)4-2-6-10(12)16-9/h1-6,15H
InChIKeyNHNXFPAFMPRREB-UHFFFAOYSA-N
XLogP5.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.00
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,9-dibromo-10H-phenoxazine?
The IUPAC name of 1,9-dibromo-10H-phenoxazine (CID 155929141) is 1,9-dibromo-10H-phenoxazine.
What is the SMILES notation for 1,9-dibromo-10H-phenoxazine?
The canonical SMILES for 1,9-dibromo-10H-phenoxazine is Brc1cccc2c1Nc1c(Br)cccc1O2.
What is the InChIKey of 1,9-dibromo-10H-phenoxazine?
The InChIKey is NHNXFPAFMPRREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2NO/c13-7-3-1-5-9-11(7)15-12-8(14)4-2-6-10(12)16-9/h1-6,15H.
What are the key properties of 1,9-dibromo-10H-phenoxazine?
1,9-dibromo-10H-phenoxazine has a molecular weight of 341.00 g/mol, XLogP of 5.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dibromo-10H-phenoxazine is sourced from PubChem (CID 155929141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).