2-[5-[5-(dicyanomethylidene)selenophen-2-ylidene]selenophen-2-ylidene]propanedinitrile

C14H4N4Se2 — CID 139626065

IUPAC2-[5-[5-(dicyanomethylidene)selenophen-2-ylidene]selenophen-2-ylidene]propanedinitrile
SMILESN#CC(C#N)=c1ccc(=c2ccc(=C(C#N)C#N)[se]2)[se]1
InChIInChI=1S/C14H4N4Se2/c15-5-9(6-16)11-1-3-13(19-11)14-4-2-12(20-14)10(7-17)8-18/h1-4H
InChIKeyXCPNVIXGIRBDDK-UHFFFAOYSA-N
MW386.13 g/mol
LogP-0.52
Rot. Bonds

About 2-[5-[5-(dicyanomethylidene)selenophen-2-ylidene]selenophen-2-ylidene]propanedinitrile

2-[5-[5-(dicyanomethylidene)selenophen-2-ylidene]selenophen-2-ylidene]propanedinitrile (PubChem CID 139626065) has the molecular formula C14H4N4Se2 and a molecular weight of 386.13 g/mol. Its IUPAC name is 2-[5-[5-(dicyanomethylidene)selenophen-2-ylidene]selenophen-2-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[5-[5-(dicyanomethylidene)selenophen-2-ylidene]selenophen-2-ylidene]propanedinitrile
PubChem CID139626065
Molecular FormulaC14H4N4Se2
Molecular Weight386.13 g/mol
Exact Mass387.88
IUPAC Name2-[5-[5-(dicyanomethylidene)selenophen-2-ylidene]selenophen-2-ylidene]propanedinitrile
SMILESN#CC(C#N)=c1ccc(=c2ccc(=C(C#N)C#N)[se]2)[se]1
InChIInChI=1S/C14H4N4Se2/c15-5-9(6-16)11-1-3-13(19-11)14-4-2-12(20-14)10(7-17)8-18/h1-4H
InChIKeyXCPNVIXGIRBDDK-UHFFFAOYSA-N
XLogP-0.52
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.13
LogP ≤ 5-0.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2,3-bis[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]butanedinitrile
CID 100976409
2-[4-[cyano(hydroxy)methylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile
CID 11465516
2-[(5E)-4-(4-chlorophenyl)-5-[3-(4-chlorophenyl)-5-(diisocyanomethylidene)selenophen-2-ylidene]selenophen-2-ylidene]propanedinitrile
CID 171734462
2-(7-bicyclo[2.2.1]hepta-2,5-dienylidene)propanedinitrile
CID 637945
2-[12-(dicyanomethylidene)-2,8-bis(3,5-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]propanedinitrile
CID 88881733
2-[4-(aminomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile
CID 88893793
2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propanedinitrile
CID 13426325
2-[3-(dicyanomethylidene)thieno[3,4-c]thiophen-6-ylidene]propanedinitrile
CID 163864275
2-[3-(dicyanomethylidene)-2,5-dihydropyrrolo[3,4-c]pyrrol-6-ylidene]propanedinitrile
CID 148682359
ethene-1,1,2,2-tetracarbonitrile;pyrene
CID 15821675
2-[3,6-bis(2-phenylethynyl)fluoren-9-ylidene]propanedinitrile
CID 44518591
2-[4-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile
CID 90781602

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(dicyanomethylidene)selenophen-2-ylidene]selenophen-2-ylidene]propanedinitrile?
The IUPAC name of 2-[5-[5-(dicyanomethylidene)selenophen-2-ylidene]selenophen-2-ylidene]propanedinitrile (CID 139626065) is 2-[5-[5-(dicyanomethylidene)selenophen-2-ylidene]selenophen-2-ylidene]propanedinitrile.
What is the SMILES notation for 2-[5-[5-(dicyanomethylidene)selenophen-2-ylidene]selenophen-2-ylidene]propanedinitrile?
The canonical SMILES for 2-[5-[5-(dicyanomethylidene)selenophen-2-ylidene]selenophen-2-ylidene]propanedinitrile is N#CC(C#N)=c1ccc(=c2ccc(=C(C#N)C#N)[se]2)[se]1.
What is the InChIKey of 2-[5-[5-(dicyanomethylidene)selenophen-2-ylidene]selenophen-2-ylidene]propanedinitrile?
The InChIKey is XCPNVIXGIRBDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H4N4Se2/c15-5-9(6-16)11-1-3-13(19-11)14-4-2-12(20-14)10(7-17)8-18/h1-4H.
What are the key properties of 2-[5-[5-(dicyanomethylidene)selenophen-2-ylidene]selenophen-2-ylidene]propanedinitrile?
2-[5-[5-(dicyanomethylidene)selenophen-2-ylidene]selenophen-2-ylidene]propanedinitrile has a molecular weight of 386.13 g/mol, XLogP of -0.52, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(dicyanomethylidene)selenophen-2-ylidene]selenophen-2-ylidene]propanedinitrile is sourced from PubChem (CID 139626065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).