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

C26H14FN3O — CID 145413636

IUPAC10-(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
SMILESFc1cc2c3c(ccc(N4c5ccccc5Oc5ccccc54)c3c1)-c1nccnc1-2
InChIInChI=1S/C26H14FN3O/c27-15-13-17-19(10-9-16-24(17)18(14-15)26-25(16)28-11-12-29-26)30-20-5-1-3-7-22(20)31-23-8-4-2-6-21(23)30/h1-14H
InChIKeyJYYNPJMCVZKCQZ-UHFFFAOYSA-N
MW403.42 g/mol
LogP6.99
Rot. Bonds1

About 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

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 (PubChem CID 145413636) has the molecular formula C26H14FN3O and a molecular weight of 403.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-(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
PubChem CID145413636
Molecular FormulaC26H14FN3O
Molecular Weight403.42 g/mol
Exact Mass403.11
IUPAC Name10-(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
SMILESFc1cc2c3c(ccc(N4c5ccccc5Oc5ccccc54)c3c1)-c1nccnc1-2
InChIInChI=1S/C26H14FN3O/c27-15-13-17-19(10-9-16-24(17)18(14-15)26-25(16)28-11-12-29-26)30-20-5-1-3-7-22(20)31-23-8-4-2-6-21(23)30/h1-14H
InChIKeyJYYNPJMCVZKCQZ-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-(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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Fc1cc2c3c(ccc(N4c5ccccc5Oc5ccccc54)c3c1)-c1nccnc1-2.
What is the InChIKey of 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?
The InChIKey is JYYNPJMCVZKCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14FN3O/c27-15-13-17-19(10-9-16-24(17)18(14-15)26-25(16)28-11-12-29-26)30-20-5-1-3-7-22(20)31-23-8-4-2-6-21(23)30/h1-14H.
What are the key properties of 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?
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 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-(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 is sourced from PubChem (CID 145413636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).