1-phenyl-10H-phenoxazine;hydrobromide

C18H14BrNO — CID 67531032

IUPAC1-phenyl-10H-phenoxazine;hydrobromide
SMILESBr.c1ccc(-c2cccc3c2Nc2ccccc2O3)cc1
InChIInChI=1S/C18H13NO.BrH/c1-2-7-13(8-3-1)14-9-6-12-17-18(14)19-15-10-4-5-11-16(15)20-17;/h1-12,19H;1H
InChIKeySQGLNCXFPIQEBL-UHFFFAOYSA-N
MW340.22 g/mol
LogP5.78
Rot. Bonds1

About 1-phenyl-10H-phenoxazine;hydrobromide

1-phenyl-10H-phenoxazine;hydrobromide (PubChem CID 67531032) has the molecular formula C18H14BrNO and a molecular weight of 340.22 g/mol. Its IUPAC name is 1-phenyl-10H-phenoxazine;hydrobromide.

Molecular Properties

Compound Name1-phenyl-10H-phenoxazine;hydrobromide
PubChem CID67531032
Molecular FormulaC18H14BrNO
Molecular Weight340.22 g/mol
Exact Mass339.03
IUPAC Name1-phenyl-10H-phenoxazine;hydrobromide
SMILESBr.c1ccc(-c2cccc3c2Nc2ccccc2O3)cc1
InChIInChI=1S/C18H13NO.BrH/c1-2-7-13(8-3-1)14-9-6-12-17-18(14)19-15-10-4-5-11-16(15)20-17;/h1-12,19H;1H
InChIKeySQGLNCXFPIQEBL-UHFFFAOYSA-N
XLogP5.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.22
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-10H-phenoxazine;hydrobromide?
The IUPAC name of 1-phenyl-10H-phenoxazine;hydrobromide (CID 67531032) is 1-phenyl-10H-phenoxazine;hydrobromide.
What is the SMILES notation for 1-phenyl-10H-phenoxazine;hydrobromide?
The canonical SMILES for 1-phenyl-10H-phenoxazine;hydrobromide is Br.c1ccc(-c2cccc3c2Nc2ccccc2O3)cc1.
What is the InChIKey of 1-phenyl-10H-phenoxazine;hydrobromide?
The InChIKey is SQGLNCXFPIQEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO.BrH/c1-2-7-13(8-3-1)14-9-6-12-17-18(14)19-15-10-4-5-11-16(15)20-17;/h1-12,19H;1H.
What are the key properties of 1-phenyl-10H-phenoxazine;hydrobromide?
1-phenyl-10H-phenoxazine;hydrobromide has a molecular weight of 340.22 g/mol, XLogP of 5.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-10H-phenoxazine;hydrobromide is sourced from PubChem (CID 67531032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).