1-bromo-10-naphthalen-1-ylphenoxazine

C22H14BrNO — CID 135279894

IUPAC1-bromo-10-naphthalen-1-ylphenoxazine
SMILESBrc1cccc2c1N(c1cccc3ccccc13)c1ccccc1O2
InChIInChI=1S/C22H14BrNO/c23-17-10-6-14-21-22(17)24(19-11-3-4-13-20(19)25-21)18-12-5-8-15-7-1-2-9-16(15)18/h1-14H
InChIKeyKEAYMUFWGYQDSR-UHFFFAOYSA-N
MW388.26 g/mol
LogP7.18
Rot. Bonds1

About 1-bromo-10-naphthalen-1-ylphenoxazine

1-bromo-10-naphthalen-1-ylphenoxazine (PubChem CID 135279894) has the molecular formula C22H14BrNO and a molecular weight of 388.26 g/mol. Its IUPAC name is 1-bromo-10-naphthalen-1-ylphenoxazine.

Molecular Properties

Compound Name1-bromo-10-naphthalen-1-ylphenoxazine
PubChem CID135279894
Molecular FormulaC22H14BrNO
Molecular Weight388.26 g/mol
Exact Mass387.03
IUPAC Name1-bromo-10-naphthalen-1-ylphenoxazine
SMILESBrc1cccc2c1N(c1cccc3ccccc13)c1ccccc1O2
InChIInChI=1S/C22H14BrNO/c23-17-10-6-14-21-22(17)24(19-11-3-4-13-20(19)25-21)18-12-5-8-15-7-1-2-9-16(15)18/h1-14H
InChIKeyKEAYMUFWGYQDSR-UHFFFAOYSA-N
XLogP7.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.26
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-10-naphthalen-1-ylphenoxazine?
The IUPAC name of 1-bromo-10-naphthalen-1-ylphenoxazine (CID 135279894) is 1-bromo-10-naphthalen-1-ylphenoxazine.
What is the SMILES notation for 1-bromo-10-naphthalen-1-ylphenoxazine?
The canonical SMILES for 1-bromo-10-naphthalen-1-ylphenoxazine is Brc1cccc2c1N(c1cccc3ccccc13)c1ccccc1O2.
What is the InChIKey of 1-bromo-10-naphthalen-1-ylphenoxazine?
The InChIKey is KEAYMUFWGYQDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrNO/c23-17-10-6-14-21-22(17)24(19-11-3-4-13-20(19)25-21)18-12-5-8-15-7-1-2-9-16(15)18/h1-14H.
What are the key properties of 1-bromo-10-naphthalen-1-ylphenoxazine?
1-bromo-10-naphthalen-1-ylphenoxazine has a molecular weight of 388.26 g/mol, XLogP of 7.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-10-naphthalen-1-ylphenoxazine is sourced from PubChem (CID 135279894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).