12bH-benzo[a]phenoxazine

C16H11NO — CID 22345724

IUPAC12bH-benzo[a]phenoxazine
SMILESC1=CC2=CC=C3Oc4ccccc4N=C3C2C=C1
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/h1-10,12H
InChIKeyZQCGISKUHGUWRC-UHFFFAOYSA-N
MW233.27 g/mol
LogP3.72
Rot. Bonds

About 12bH-benzo[a]phenoxazine

12bH-benzo[a]phenoxazine (PubChem CID 22345724) has the molecular formula C16H11NO and a molecular weight of 233.27 g/mol. Its IUPAC name is 12bH-benzo[a]phenoxazine.

Molecular Properties

Compound Name12bH-benzo[a]phenoxazine
PubChem CID22345724
Molecular FormulaC16H11NO
Molecular Weight233.27 g/mol
Exact Mass233.08
IUPAC Name12bH-benzo[a]phenoxazine
SMILESC1=CC2=CC=C3Oc4ccccc4N=C3C2C=C1
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/h1-10,12H
InChIKeyZQCGISKUHGUWRC-UHFFFAOYSA-N
XLogP3.72
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 141026751
2-(4-tert-butylphenyl)-4-phenyl-1,5-benzoxazepine
CID 141419849
(4aZ)-12aH-benzo[d][1,3,2]benzodioxaphosphocin-11-amine
CID 70528160
3-(4-bromophenyl)-2H-1,4-benzoxazin-2-ol
CID 71391889
[3-(7aH-inden-1-yl)-3-(1H-inden-1-yl)-5-triphenylsilyloxypentoxy]-triphenylsilane;zirconium(2+);dichloride
CID 173220017
[3-(7aH-inden-1-yl)-3-(1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane;zirconium(2+);dichloride
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1-methyl-1H-carbazole
CID 154092171

Frequently Asked Questions

What is the IUPAC name of 12bH-benzo[a]phenoxazine?
The IUPAC name of 12bH-benzo[a]phenoxazine (CID 22345724) is 12bH-benzo[a]phenoxazine.
What is the SMILES notation for 12bH-benzo[a]phenoxazine?
The canonical SMILES for 12bH-benzo[a]phenoxazine is C1=CC2=CC=C3Oc4ccccc4N=C3C2C=C1.
What is the InChIKey of 12bH-benzo[a]phenoxazine?
The InChIKey is ZQCGISKUHGUWRC-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/h1-10,12H.
What are the key properties of 12bH-benzo[a]phenoxazine?
12bH-benzo[a]phenoxazine has a molecular weight of 233.27 g/mol, XLogP of 3.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12bH-benzo[a]phenoxazine is sourced from PubChem (CID 22345724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).