2,3-bis[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]butanedinitrile

C22H8N6 — CID 100976409

IUPAC2,3-bis[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]butanedinitrile
SMILESN#CC(C#N)=c1ccc(=C(C#N)C(C#N)=c2ccc(=C(C#N)C#N)cc2)cc1
InChIInChI=1S/C22H8N6/c23-9-19(10-24)15-1-5-17(6-2-15)21(13-27)22(14-28)18-7-3-16(4-8-18)20(11-25)12-26/h1-8H
InChIKeyWRLBWQXYUBBAKE-UHFFFAOYSA-N
MW356.35 g/mol
LogP0.13
Rot. Bonds1

About 2,3-bis[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]butanedinitrile

2,3-bis[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]butanedinitrile (PubChem CID 100976409) has the molecular formula C22H8N6 and a molecular weight of 356.35 g/mol. Its IUPAC name is 2,3-bis[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]butanedinitrile.

Molecular Properties

Compound Name2,3-bis[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]butanedinitrile
PubChem CID100976409
Molecular FormulaC22H8N6
Molecular Weight356.35 g/mol
Exact Mass356.08
IUPAC Name2,3-bis[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]butanedinitrile
SMILESN#CC(C#N)=c1ccc(=C(C#N)C(C#N)=c2ccc(=C(C#N)C#N)cc2)cc1
InChIInChI=1S/C22H8N6/c23-9-19(10-24)15-1-5-17(6-2-15)21(13-27)22(14-28)18-7-3-16(4-8-18)20(11-25)12-26/h1-8H
InChIKeyWRLBWQXYUBBAKE-UHFFFAOYSA-N
XLogP0.13
TPSA142.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[cyano(hydroxy)methylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile
CID 11465516
2-[4-(aminomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile
CID 88893793
2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile;hexahelicene
CID 139203548
2-[4-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile
CID 90781602
2-[4-[bis[4-(dibutylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile
CID 19010194
2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile;bis(1H-quinolin-2-one)
CID 139146174
[cyano-[6-(dicyanomethylidene)naphthalen-2-ylidene]methyl]-methylidyneazanium
CID 123823276
2-[4-[cyano-[4-(2-hydroxyethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile
CID 3098269
bis(2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile);1-docosylpyridin-1-ium
CID 23044781
[2-cyano-2-[4-[[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]-(2,4,6-trimethylphenyl)methyl]phenyl]ethenylidene]azanide
CID 11611279
2-[4-[4-[cyano(isocyano)methylidene]cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile
CID 123585448
2-[1-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]-1,4-bis[4-(dimethylamino)phenyl]but-3-yn-2-ylidene]propanedinitrile
CID 24746181

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]butanedinitrile?
The IUPAC name of 2,3-bis[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]butanedinitrile (CID 100976409) is 2,3-bis[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]butanedinitrile.
What is the SMILES notation for 2,3-bis[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]butanedinitrile?
The canonical SMILES for 2,3-bis[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]butanedinitrile is N#CC(C#N)=c1ccc(=C(C#N)C(C#N)=c2ccc(=C(C#N)C#N)cc2)cc1.
What is the InChIKey of 2,3-bis[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]butanedinitrile?
The InChIKey is WRLBWQXYUBBAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H8N6/c23-9-19(10-24)15-1-5-17(6-2-15)21(13-27)22(14-28)18-7-3-16(4-8-18)20(11-25)12-26/h1-8H.
What are the key properties of 2,3-bis[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]butanedinitrile?
2,3-bis[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]butanedinitrile has a molecular weight of 356.35 g/mol, XLogP of 0.13, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]butanedinitrile is sourced from PubChem (CID 100976409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).