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

C32H18FN3O — CID 145413588

IUPAC10-[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
SMILESFc1cc2c3c(ccc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)c3c1)-c1nccnc1-2
InChIInChI=1S/C32H18FN3O/c33-20-17-24-22(13-14-23-30(24)25(18-20)32-31(23)34-15-16-35-32)19-9-11-21(12-10-19)36-26-5-1-3-7-28(26)37-29-8-4-2-6-27(29)36/h1-18H
InChIKeyJGNMOVDEIOPOFT-UHFFFAOYSA-N
MW479.51 g/mol
LogP8.66
Rot. Bonds2

About 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

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 (PubChem CID 145413588) has the molecular formula C32H18FN3O and a molecular weight of 479.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-[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
PubChem CID145413588
Molecular FormulaC32H18FN3O
Molecular Weight479.51 g/mol
Exact Mass479.14
IUPAC Name10-[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
SMILESFc1cc2c3c(ccc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)c3c1)-c1nccnc1-2
InChIInChI=1S/C32H18FN3O/c33-20-17-24-22(13-14-23-30(24)25(18-20)32-31(23)34-15-16-35-32)19-9-11-21(12-10-19)36-26-5-1-3-7-28(26)37-29-8-4-2-6-27(29)36/h1-18H
InChIKeyJGNMOVDEIOPOFT-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-(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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Fc1cc2c3c(ccc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)c3c1)-c1nccnc1-2.
What is the InChIKey of 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?
The InChIKey is JGNMOVDEIOPOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18FN3O/c33-20-17-24-22(13-14-23-30(24)25(18-20)32-31(23)34-15-16-35-32)19-9-11-21(12-10-19)36-26-5-1-3-7-28(26)37-29-8-4-2-6-27(29)36/h1-18H.
What are the key properties of 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?
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 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-(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 is sourced from PubChem (CID 145413588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).