3,7-dibromo-10-phenylphenoxazine

C18H11Br2NO — CID 13272484

IUPAC3,7-dibromo-10-phenylphenoxazine
SMILESBrc1ccc2c(c1)Oc1cc(Br)ccc1N2c1ccccc1
InChIInChI=1S/C18H11Br2NO/c19-12-6-8-15-17(10-12)22-18-11-13(20)7-9-16(18)21(15)14-4-2-1-3-5-14/h1-11H
InChIKeyDGMARKIFPUNHBC-UHFFFAOYSA-N
MW417.10 g/mol
LogP6.79
Rot. Bonds1

About 3,7-dibromo-10-phenylphenoxazine

3,7-dibromo-10-phenylphenoxazine (PubChem CID 13272484) has the molecular formula C18H11Br2NO and a molecular weight of 417.10 g/mol. Its IUPAC name is 3,7-dibromo-10-phenylphenoxazine.

Molecular Properties

Compound Name3,7-dibromo-10-phenylphenoxazine
PubChem CID13272484
Molecular FormulaC18H11Br2NO
Molecular Weight417.10 g/mol
Exact Mass414.92
IUPAC Name3,7-dibromo-10-phenylphenoxazine
SMILESBrc1ccc2c(c1)Oc1cc(Br)ccc1N2c1ccccc1
InChIInChI=1S/C18H11Br2NO/c19-12-6-8-15-17(10-12)22-18-11-13(20)7-9-16(18)21(15)14-4-2-1-3-5-14/h1-11H
InChIKeyDGMARKIFPUNHBC-UHFFFAOYSA-N
XLogP6.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.10
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,7-dibromo-10-phenylphenoxazine?
The IUPAC name of 3,7-dibromo-10-phenylphenoxazine (CID 13272484) is 3,7-dibromo-10-phenylphenoxazine.
What is the SMILES notation for 3,7-dibromo-10-phenylphenoxazine?
The canonical SMILES for 3,7-dibromo-10-phenylphenoxazine is Brc1ccc2c(c1)Oc1cc(Br)ccc1N2c1ccccc1.
What is the InChIKey of 3,7-dibromo-10-phenylphenoxazine?
The InChIKey is DGMARKIFPUNHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Br2NO/c19-12-6-8-15-17(10-12)22-18-11-13(20)7-9-16(18)21(15)14-4-2-1-3-5-14/h1-11H.
What are the key properties of 3,7-dibromo-10-phenylphenoxazine?
3,7-dibromo-10-phenylphenoxazine has a molecular weight of 417.10 g/mol, XLogP of 6.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dibromo-10-phenylphenoxazine is sourced from PubChem (CID 13272484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).