10-(6-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)phenoxazine

C26H14FN3O — CID 145413959

IUPAC10-(6-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)phenoxazine
SMILESFc1ccc2c3c(ccc(N4c5ccccc5Oc5ccccc54)c13)-c1nccnc1-2
InChIInChI=1S/C26H14FN3O/c27-17-11-9-15-23-16(26-25(15)28-13-14-29-26)10-12-20(24(17)23)30-18-5-1-3-7-21(18)31-22-8-4-2-6-19(22)30/h1-14H
InChIKeyWQBICZYABWWNQZ-UHFFFAOYSA-N
MW403.42 g/mol
LogP6.99
Rot. Bonds1

About 10-(6-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)phenoxazine

10-(6-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)phenoxazine (PubChem CID 145413959) has the molecular formula C26H14FN3O and a molecular weight of 403.42 g/mol. Its IUPAC name is 10-(6-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)phenoxazine.

Molecular Properties

Compound Name10-(6-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)phenoxazine
PubChem CID145413959
Molecular FormulaC26H14FN3O
Molecular Weight403.42 g/mol
Exact Mass403.11
IUPAC Name10-(6-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)phenoxazine
SMILESFc1ccc2c3c(ccc(N4c5ccccc5Oc5ccccc54)c13)-c1nccnc1-2
InChIInChI=1S/C26H14FN3O/c27-17-11-9-15-23-16(26-25(15)28-13-14-29-26)10-12-20(24(17)23)30-18-5-1-3-7-21(18)31-22-8-4-2-6-19(22)30/h1-14H
InChIKeyWQBICZYABWWNQZ-UHFFFAOYSA-N
XLogP6.99
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.42
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-(6-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)phenoxazine with MolForge

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Related Compounds

4-[[2,3-Bis(ethenyl)-1,4-benzoxazin-4-yl]methyl]-2-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile
CID 145413474
2-Fluoro-4-phenoxazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile
CID 145413501
(3-Fluoro-6-phenoxazin-10-yl-13-thiocyanato-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-12-yl) thiocyanate
CID 145413557
10-[4-(6-Fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-2,5-dimethylphenyl]phenoxazine
CID 145413567
4-(2,5-Dimethyl-4-phenoxazin-10-ylphenyl)-2-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile
CID 145413572
10-(2-Fluoro-12,13-diisothiocyanato-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-4-yl)phenoxazine
CID 145413576
10-[4-(6-Fluoro-12,13-diisothiocyanato-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-4-yl)-2,5-dimethylphenyl]phenoxazine
CID 145413580
10-[4-(7-Fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)phenyl]phenoxazine
CID 145413588
10-(7-Fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)phenoxazine
CID 145413636
10-[4-(7-Fluoro-12,13-diisothiocyanato-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-4-yl)-2,5-dimethylphenyl]phenoxazine
CID 145413652
4-Fluoro-6-phenoxazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene-12,13-dicarbonitrile
CID 145413666
6-(2,5-Dimethyl-4-phenoxazin-10-ylphenyl)-3-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene-12,13-dicarbonitrile
CID 145413680

Frequently Asked Questions

What is the IUPAC name of 10-(6-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)phenoxazine?
The IUPAC name of 10-(6-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)phenoxazine (CID 145413959) is 10-(6-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)phenoxazine.
What is the SMILES notation for 10-(6-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)phenoxazine?
The canonical SMILES for 10-(6-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)phenoxazine is Fc1ccc2c3c(ccc(N4c5ccccc5Oc5ccccc54)c13)-c1nccnc1-2.
What is the InChIKey of 10-(6-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)phenoxazine?
The InChIKey is WQBICZYABWWNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14FN3O/c27-17-11-9-15-23-16(26-25(15)28-13-14-29-26)10-12-20(24(17)23)30-18-5-1-3-7-21(18)31-22-8-4-2-6-19(22)30/h1-14H.
What are the key properties of 10-(6-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)phenoxazine?
10-(6-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)phenoxazine has a molecular weight of 403.42 g/mol, XLogP of 6.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(6-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)phenoxazine is sourced from PubChem (CID 145413959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).