12H-benzo[a]phenoxazine

C16H11NO — CID 13409908

IUPAC12H-benzo[a]phenoxazine
SMILESc1ccc2c(c1)Nc1c(ccc3ccccc13)O2
InChIInChI=1S/C16H11NO/c1-2-6-12-11(5-1)9-10-15-16(12)17-13-7-3-4-8-14(13)18-15/h1-10,17H
InChIKeyYOSZEPWSVKKQOV-UHFFFAOYSA-N
MW233.27 g/mol
LogP4.69
Rot. Bonds

About 12H-benzo[a]phenoxazine

12H-benzo[a]phenoxazine (PubChem CID 13409908) has the molecular formula C16H11NO and a molecular weight of 233.27 g/mol. Its IUPAC name is 12H-benzo[a]phenoxazine.

Molecular Properties

Compound Name12H-benzo[a]phenoxazine
PubChem CID13409908
Molecular FormulaC16H11NO
Molecular Weight233.27 g/mol
Exact Mass233.08
IUPAC Name12H-benzo[a]phenoxazine
SMILESc1ccc2c(c1)Nc1c(ccc3ccccc13)O2
InChIInChI=1S/C16H11NO/c1-2-6-12-11(5-1)9-10-15-16(12)17-13-7-3-4-8-14(13)18-15/h1-10,17H
InChIKeyYOSZEPWSVKKQOV-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 12H-benzo[a]phenoxazine?
The IUPAC name of 12H-benzo[a]phenoxazine (CID 13409908) is 12H-benzo[a]phenoxazine.
What is the SMILES notation for 12H-benzo[a]phenoxazine?
The canonical SMILES for 12H-benzo[a]phenoxazine is c1ccc2c(c1)Nc1c(ccc3ccccc13)O2.
What is the InChIKey of 12H-benzo[a]phenoxazine?
The InChIKey is YOSZEPWSVKKQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO/c1-2-6-12-11(5-1)9-10-15-16(12)17-13-7-3-4-8-14(13)18-15/h1-10,17H.
What are the key properties of 12H-benzo[a]phenoxazine?
12H-benzo[a]phenoxazine has a molecular weight of 233.27 g/mol, XLogP of 4.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12H-benzo[a]phenoxazine is sourced from PubChem (CID 13409908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).