4-phenoxazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile

C28H13N5O — CID 145413661

IUPAC4-phenoxazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile
SMILESN#Cc1nc2c(nc1C#N)-c1ccc(N3c4ccccc4Oc4ccccc43)c3cccc-2c13
InChIInChI=1S/C28H13N5O/c29-14-19-20(15-30)32-28-18-12-13-21(16-6-5-7-17(26(16)18)27(28)31-19)33-22-8-1-3-10-24(22)34-25-11-4-2-9-23(25)33/h1-13H
InChIKeyJEFDXDVGSDAVPH-UHFFFAOYSA-N
MW435.45 g/mol
LogP6.60
Rot. Bonds1

About 4-phenoxazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile

4-phenoxazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile (PubChem CID 145413661) has the molecular formula C28H13N5O and a molecular weight of 435.45 g/mol. Its IUPAC name is 4-phenoxazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile.

Molecular Properties

Compound Name4-phenoxazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile
PubChem CID145413661
Molecular FormulaC28H13N5O
Molecular Weight435.45 g/mol
Exact Mass435.11
IUPAC Name4-phenoxazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile
SMILESN#Cc1nc2c(nc1C#N)-c1ccc(N3c4ccccc4Oc4ccccc43)c3cccc-2c13
InChIInChI=1S/C28H13N5O/c29-14-19-20(15-30)32-28-18-12-13-21(16-6-5-7-17(26(16)18)27(28)31-19)33-22-8-1-3-10-24(22)34-25-11-4-2-9-23(25)33/h1-13H
InChIKeyJEFDXDVGSDAVPH-UHFFFAOYSA-N
XLogP6.60
TPSA85.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.45
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-phenoxazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile with MolForge

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Related Compounds

2-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 145413555
4-carbazol-9-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile
CID 145413747
6-phenoxazin-10-ylpyrene-1-carbonitrile
CID 145009256
4-(5-phenoxazin-10-ylnaphthalen-1-yl)naphthalene-1,3-dicarbonitrile
CID 122435576
2-(9,9-dimethylacridin-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 145413810
10-[4-(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)phenyl]phenoxazine
CID 145413607
4-(10-phenylphenazin-5-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 145413869
2-phenoxazin-10-ylbenzene-1,3-dicarbonitrile
CID 145009760
3-[3-(2-phenoxazin-10-ylphenyl)phenyl]pyridine-4-carbonitrile
CID 146543305
4-[4-(9,9-dimethylacridin-10-yl)naphthalen-1-yl]-12,13-diisothiocyanato-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaene
CID 145413605
2-[4-[4-[4-(2-cyanophenyl)-2-phenoxazin-10-ylphenyl]-6-[4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-phenoxazin-10-ylphenyl]benzonitrile
CID 163742751
2-[3-(2-phenoxazin-10-ylphenyl)phenyl]pyridine-4-carbonitrile
CID 146542742

Frequently Asked Questions

What is the IUPAC name of 4-phenoxazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile?
The IUPAC name of 4-phenoxazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile (CID 145413661) is 4-phenoxazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile.
What is the SMILES notation for 4-phenoxazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile?
The canonical SMILES for 4-phenoxazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile is N#Cc1nc2c(nc1C#N)-c1ccc(N3c4ccccc4Oc4ccccc43)c3cccc-2c13.
What is the InChIKey of 4-phenoxazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile?
The InChIKey is JEFDXDVGSDAVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H13N5O/c29-14-19-20(15-30)32-28-18-12-13-21(16-6-5-7-17(26(16)18)27(28)31-19)33-22-8-1-3-10-24(22)34-25-11-4-2-9-23(25)33/h1-13H.
What are the key properties of 4-phenoxazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile?
4-phenoxazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile has a molecular weight of 435.45 g/mol, XLogP of 6.60, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile is sourced from PubChem (CID 145413661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).