10-(8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenoxazine

C22H13N3O2 — CID 130353987

IUPAC10-(8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cnc2oc3ncccc3c2c1
InChIInChI=1S/C22H13N3O2/c1-3-9-19-17(7-1)25(18-8-2-4-10-20(18)26-19)14-12-16-15-6-5-11-23-21(15)27-22(16)24-13-14/h1-13H
InChIKeyOVAPBFKZVKPMOP-UHFFFAOYSA-N
MW351.37 g/mol
LogP5.95
Rot. Bonds1

About 10-(8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenoxazine

10-(8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenoxazine (PubChem CID 130353987) has the molecular formula C22H13N3O2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 10-(8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenoxazine.

Molecular Properties

Compound Name10-(8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenoxazine
PubChem CID130353987
Molecular FormulaC22H13N3O2
Molecular Weight351.37 g/mol
Exact Mass351.10
IUPAC Name10-(8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cnc2oc3ncccc3c2c1
InChIInChI=1S/C22H13N3O2/c1-3-9-19-17(7-1)25(18-8-2-4-10-20(18)26-19)14-12-16-15-6-5-11-23-21(15)27-22(16)24-13-14/h1-13H
InChIKeyOVAPBFKZVKPMOP-UHFFFAOYSA-N
XLogP5.95
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.37
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-(8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenoxazine with MolForge

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Related Compounds

10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine
CID 129073049
10-[3-[3-(3-phenoxazin-10-ylphenyl)-[1]benzofuro[2,3-b]pyridin-6-yl]phenyl]phenoxazine
CID 130354404
10-([1]benzofuro[2,3-b]pyrazin-7-yl)phenoxazine
CID 134351385
10-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine
CID 129148066
10-[3,5-di(pyrimidin-2-yl)phenyl]phenoxazine
CID 58251203
10-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-5-ylphenoxazine
CID 146654617
10-(9-methyl-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine
CID 122608600
[4-(8-phenoxazin-10-yl-[1]benzofuro[2,3-b]pyrazin-6-yl)phenyl]-triphenylsilane
CID 153422021
10-(2-tert-butylpyrimidin-5-yl)phenoxazine
CID 164940851
2-phenoxazin-10-ylchromeno[3,2-b]xanthene-12,14-dione
CID 164765277
10-(7-phenoxazin-10-yl-9,10-diphenylanthracen-2-yl)phenoxazine
CID 59220139
10-[10-(3-phenylphenyl)phenanthro[9,10-b]pyrazin-7-yl]phenoxazine
CID 118912208

Frequently Asked Questions

What is the IUPAC name of 10-(8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenoxazine?
The IUPAC name of 10-(8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenoxazine (CID 130353987) is 10-(8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenoxazine.
What is the SMILES notation for 10-(8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenoxazine?
The canonical SMILES for 10-(8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1cnc2oc3ncccc3c2c1.
What is the InChIKey of 10-(8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenoxazine?
The InChIKey is OVAPBFKZVKPMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13N3O2/c1-3-9-19-17(7-1)25(18-8-2-4-10-20(18)26-19)14-12-16-15-6-5-11-23-21(15)27-22(16)24-13-14/h1-13H.
What are the key properties of 10-(8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenoxazine?
10-(8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenoxazine has a molecular weight of 351.37 g/mol, XLogP of 5.95, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenoxazine is sourced from PubChem (CID 130353987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).