4-[4-[2-(dicyanomethylidene)hydrazinyl]phenoxy]benzene-1,2-dicarbonitrile

C17H8N6O — CID 169337735

IUPAC4-[4-[2-(dicyanomethylidene)hydrazinyl]phenoxy]benzene-1,2-dicarbonitrile
SMILESN#CC(C#N)=NNc1ccc(Oc2ccc(C#N)c(C#N)c2)cc1
InChIInChI=1S/C17H8N6O/c18-8-12-1-4-17(7-13(12)9-19)24-16-5-2-14(3-6-16)22-23-15(10-20)11-21/h1-7,22H
InChIKeyAJFWXBOEFRYOSF-UHFFFAOYSA-N
MW312.29 g/mol
LogP3.04
Rot. Bonds4

About 4-[4-[2-(dicyanomethylidene)hydrazinyl]phenoxy]benzene-1,2-dicarbonitrile

4-[4-[2-(dicyanomethylidene)hydrazinyl]phenoxy]benzene-1,2-dicarbonitrile (PubChem CID 169337735) has the molecular formula C17H8N6O and a molecular weight of 312.29 g/mol. Its IUPAC name is 4-[4-[2-(dicyanomethylidene)hydrazinyl]phenoxy]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-[4-[2-(dicyanomethylidene)hydrazinyl]phenoxy]benzene-1,2-dicarbonitrile
PubChem CID169337735
Molecular FormulaC17H8N6O
Molecular Weight312.29 g/mol
Exact Mass312.08
IUPAC Name4-[4-[2-(dicyanomethylidene)hydrazinyl]phenoxy]benzene-1,2-dicarbonitrile
SMILESN#CC(C#N)=NNc1ccc(Oc2ccc(C#N)c(C#N)c2)cc1
InChIInChI=1S/C17H8N6O/c18-8-12-1-4-17(7-13(12)9-19)24-16-5-2-14(3-6-16)22-23-15(10-20)11-21/h1-7,22H
InChIKeyAJFWXBOEFRYOSF-UHFFFAOYSA-N
XLogP3.04
TPSA128.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-(dicyanomethylidene)hydrazinyl]benzene-1,2-dicarbonitrile
CID 169337793
2-[[3-(4-fluorophenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339853
2-[(4-pyrimidin-2-yloxyphenyl)hydrazinylidene]propanedinitrile
CID 163611067
4-(3,4-dicyanophenoxy)-N-[4-[[4-(3,4-dicyanophenoxy)benzoyl]amino]phenyl]benzamide
CID 10886540
4-[3,5-bis(3,4-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile
CID 71363047
4-[4-[4-(3,4-dicyanophenoxy)benzoyl]phenoxy]benzene-1,2-dicarbonitrile
CID 2170646
2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169337420
2-[[3-chloro-4-(3,4-dimethylphenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339212
2-[(3-fluoro-4-phenoxyphenyl)hydrazinylidene]propanedinitrile
CID 166903327
4-[4-(2,3-dihydroxypropylamino)phenoxy]benzene-1,2-dicarbonitrile
CID 168594427
4-(3,5-diphenoxyphenoxy)benzene-1,2-dicarbonitrile
CID 15667751
2-[[4-(2-fluoro-4-methylsulfonylphenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339030

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(dicyanomethylidene)hydrazinyl]phenoxy]benzene-1,2-dicarbonitrile?
The IUPAC name of 4-[4-[2-(dicyanomethylidene)hydrazinyl]phenoxy]benzene-1,2-dicarbonitrile (CID 169337735) is 4-[4-[2-(dicyanomethylidene)hydrazinyl]phenoxy]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-[4-[2-(dicyanomethylidene)hydrazinyl]phenoxy]benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-[4-[2-(dicyanomethylidene)hydrazinyl]phenoxy]benzene-1,2-dicarbonitrile is N#CC(C#N)=NNc1ccc(Oc2ccc(C#N)c(C#N)c2)cc1.
What is the InChIKey of 4-[4-[2-(dicyanomethylidene)hydrazinyl]phenoxy]benzene-1,2-dicarbonitrile?
The InChIKey is AJFWXBOEFRYOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8N6O/c18-8-12-1-4-17(7-13(12)9-19)24-16-5-2-14(3-6-16)22-23-15(10-20)11-21/h1-7,22H.
What are the key properties of 4-[4-[2-(dicyanomethylidene)hydrazinyl]phenoxy]benzene-1,2-dicarbonitrile?
4-[4-[2-(dicyanomethylidene)hydrazinyl]phenoxy]benzene-1,2-dicarbonitrile has a molecular weight of 312.29 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(dicyanomethylidene)hydrazinyl]phenoxy]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 169337735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).