10-[4-(2-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]phenoxazine

C32H18FN3O — CID 145413764

IUPAC10-[4-(2-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]phenoxazine
SMILESFc1cc(-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)c2cccc3c2c1-c1nccnc1-3
InChIInChI=1S/C32H18FN3O/c33-24-18-23(21-6-5-7-22-29(21)30(24)32-31(22)34-16-17-35-32)19-12-14-20(15-13-19)36-25-8-1-3-10-27(25)37-28-11-4-2-9-26(28)36/h1-18H
InChIKeyOQSUJIYUWFTIAW-UHFFFAOYSA-N
MW479.51 g/mol
LogP8.66
Rot. Bonds2

About 10-[4-(2-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]phenoxazine

10-[4-(2-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]phenoxazine (PubChem CID 145413764) has the molecular formula C32H18FN3O and a molecular weight of 479.51 g/mol. Its IUPAC name is 10-[4-(2-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-(2-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]phenoxazine
PubChem CID145413764
Molecular FormulaC32H18FN3O
Molecular Weight479.51 g/mol
Exact Mass479.14
IUPAC Name10-[4-(2-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]phenoxazine
SMILESFc1cc(-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)c2cccc3c2c1-c1nccnc1-3
InChIInChI=1S/C32H18FN3O/c33-24-18-23(21-6-5-7-22-29(21)30(24)32-31(22)34-16-17-35-32)19-12-14-20(15-13-19)36-25-8-1-3-10-27(25)37-28-11-4-2-9-26(28)36/h1-18H
InChIKeyOQSUJIYUWFTIAW-UHFFFAOYSA-N
XLogP8.66
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.51
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-[4-(2-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]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
10-[4-(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)phenyl]phenoxazine
CID 145413488
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
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-[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
10-(2-Fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenoxazine
CID 145413740

Frequently Asked Questions

What is the IUPAC name of 10-[4-(2-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]phenoxazine?
The IUPAC name of 10-[4-(2-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]phenoxazine (CID 145413764) is 10-[4-(2-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[4-(2-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[4-(2-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]phenoxazine is Fc1cc(-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)c2cccc3c2c1-c1nccnc1-3.
What is the InChIKey of 10-[4-(2-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]phenoxazine?
The InChIKey is OQSUJIYUWFTIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18FN3O/c33-24-18-23(21-6-5-7-22-29(21)30(24)32-31(22)34-16-17-35-32)19-12-14-20(15-13-19)36-25-8-1-3-10-27(25)37-28-11-4-2-9-26(28)36/h1-18H.
What are the key properties of 10-[4-(2-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]phenoxazine?
10-[4-(2-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]phenoxazine has a molecular weight of 479.51 g/mol, XLogP of 8.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(2-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]phenoxazine is sourced from PubChem (CID 145413764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).