Skip to content

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

C36H20FN5O — CID 145413572

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-(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
SMILESCc1cc(N2c3ccccc3Oc3ccccc32)c(C)cc1-c1cc(F)c2c3c(cccc13)-c1nc(C#N)c(C#N)nc1-2
InChIInChI=1S/C36H20FN5O/c1-19-15-30(42-28-10-3-5-12-31(28)43-32-13-6-4-11-29(32)42)20(2)14-23(19)24-16-25(37)34-33-21(24)8-7-9-22(33)35-36(34)41-27(18-39)26(17-38)40-35/h3-16H,1-2H3
InChIKeyPSHPHKWOBIYJED-UHFFFAOYSA-N
MW557.59 g/mol
LogP9.02
Rot. Bonds2

About 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

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 (PubChem CID 145413572) has the molecular formula C36H20FN5O and a molecular weight of 557.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID145413572
Molecular FormulaC36H20FN5O
Molecular Weight557.59 g/mol
Exact Mass557.17
IUPAC Name4-(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
SMILESCc1cc(N2c3ccccc3Oc3ccccc32)c(C)cc1-c1cc(F)c2c3c(cccc13)-c1nc(C#N)c(C#N)nc1-2
InChIInChI=1S/C36H20FN5O/c1-19-15-30(42-28-10-3-5-12-31(28)43-32-13-6-4-11-29(32)42)20(2)14-23(19)24-16-25(37)34-33-21(24)8-7-9-22(33)35-36(34)41-27(18-39)26(17-38)40-35/h3-16H,1-2H3
InChIKeyPSHPHKWOBIYJED-UHFFFAOYSA-N
XLogP9.02
TPSA85.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.59
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(N2c3ccccc3Oc3ccccc32)c(C)cc1-c1cc(F)c2c3c(cccc13)-c1nc(C#N)c(C#N)nc1-2.
What is the InChIKey of 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?
The InChIKey is PSHPHKWOBIYJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20FN5O/c1-19-15-30(42-28-10-3-5-12-31(28)43-32-13-6-4-11-29(32)42)20(2)14-23(19)24-16-25(37)34-33-21(24)8-7-9-22(33)35-36(34)41-27(18-39)26(17-38)40-35/h3-16H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 557.59 g/mol, XLogP of 9.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 145413572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.