2-phenoxazin-10-ylbenzene-1,3-dicarbonitrile

C20H11N3O — CID 145009760

IUPAC2-phenoxazin-10-ylbenzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C20H11N3O/c21-12-14-6-5-7-15(13-22)20(14)23-16-8-1-3-10-18(16)24-19-11-4-2-9-17(19)23/h1-11H
InChIKeyKPCKIBYDCFNIKU-UHFFFAOYSA-N
MW309.33 g/mol
LogP5.01
Rot. Bonds1

About 2-phenoxazin-10-ylbenzene-1,3-dicarbonitrile

2-phenoxazin-10-ylbenzene-1,3-dicarbonitrile (PubChem CID 145009760) has the molecular formula C20H11N3O and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-phenoxazin-10-ylbenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-phenoxazin-10-ylbenzene-1,3-dicarbonitrile
PubChem CID145009760
Molecular FormulaC20H11N3O
Molecular Weight309.33 g/mol
Exact Mass309.09
IUPAC Name2-phenoxazin-10-ylbenzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C20H11N3O/c21-12-14-6-5-7-15(13-22)20(14)23-16-8-1-3-10-18(16)24-19-11-4-2-9-17(19)23/h1-11H
InChIKeyKPCKIBYDCFNIKU-UHFFFAOYSA-N
XLogP5.01
TPSA60.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.33
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-phenoxazin-10-ylbenzene-1,3-dicarbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

3-[3-cyano-2,5-di(phenoxazin-10-yl)phenyl]-2,5-di(phenoxazin-10-yl)benzonitrile
CID 135273556
2-(9,9-dimethylacridin-10-yl)benzene-1,3-dicarbonitrile
CID 145009819
3-(2,3,4,5,6-pentafluorophenyl)-2-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile
CID 118920537
10-(2,6-dichlorophenyl)phenoxazine
CID 126602381
4,6-diethyl-2,5-di(phenoxazin-10-yl)benzene-1,3-dicarbonitrile
CID 139549866
2-(2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-13-yl)benzene-1,3-dicarbonitrile
CID 145009800
4-(5-phenoxazin-10-ylnaphthalen-1-yl)naphthalene-1,3-dicarbonitrile
CID 122435576
dibenzo-p-dioxin-1-carbonitrile
CID 11275811
6-phenoxazin-10-ylpyrene-1-carbonitrile
CID 145009256
2,3,4,6-tetra(phenoxazin-10-yl)-5-(trifluoromethyl)benzonitrile
CID 134169853
2-(13-oxa-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-2-yl)benzonitrile
CID 145009816
3-[5-(3-cyanophenyl)-3-methyl-2,4-di(phenoxazin-10-yl)phenyl]benzonitrile
CID 139553033

Frequently Asked Questions

What is the IUPAC name of 2-phenoxazin-10-ylbenzene-1,3-dicarbonitrile?
The IUPAC name of 2-phenoxazin-10-ylbenzene-1,3-dicarbonitrile (CID 145009760) is 2-phenoxazin-10-ylbenzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-phenoxazin-10-ylbenzene-1,3-dicarbonitrile?
The canonical SMILES for 2-phenoxazin-10-ylbenzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1N1c2ccccc2Oc2ccccc21.
What is the InChIKey of 2-phenoxazin-10-ylbenzene-1,3-dicarbonitrile?
The InChIKey is KPCKIBYDCFNIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11N3O/c21-12-14-6-5-7-15(13-22)20(14)23-16-8-1-3-10-18(16)24-19-11-4-2-9-17(19)23/h1-11H.
What are the key properties of 2-phenoxazin-10-ylbenzene-1,3-dicarbonitrile?
2-phenoxazin-10-ylbenzene-1,3-dicarbonitrile has a molecular weight of 309.33 g/mol, XLogP of 5.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxazin-10-ylbenzene-1,3-dicarbonitrile is sourced from PubChem (CID 145009760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).