2-(5-cyano-1,3-diphosphinin-2-yl)-1,3-diphosphinine-5-carbonitrile

C10H4N2P4 — CID 142732987

IUPAC2-(5-cyano-1,3-diphosphinin-2-yl)-1,3-diphosphinine-5-carbonitrile
SMILESN#Cc1cpc(-c2pcc(C#N)cp2)pc1
InChIInChI=1S/C10H4N2P4/c11-1-7-3-13-9(14-4-7)10-15-5-8(2-12)6-16-10/h3-6H
InChIKeyNGSIBJFODNAHGV-UHFFFAOYSA-N
MW276.05 g/mol
LogP5.42
Rot. Bonds1

About 2-(5-cyano-1,3-diphosphinin-2-yl)-1,3-diphosphinine-5-carbonitrile

2-(5-cyano-1,3-diphosphinin-2-yl)-1,3-diphosphinine-5-carbonitrile (PubChem CID 142732987) has the molecular formula C10H4N2P4 and a molecular weight of 276.05 g/mol. Its IUPAC name is 2-(5-cyano-1,3-diphosphinin-2-yl)-1,3-diphosphinine-5-carbonitrile.

Molecular Properties

Compound Name2-(5-cyano-1,3-diphosphinin-2-yl)-1,3-diphosphinine-5-carbonitrile
PubChem CID142732987
Molecular FormulaC10H4N2P4
Molecular Weight276.05 g/mol
Exact Mass275.93
IUPAC Name2-(5-cyano-1,3-diphosphinin-2-yl)-1,3-diphosphinine-5-carbonitrile
SMILESN#Cc1cpc(-c2pcc(C#N)cp2)pc1
InChIInChI=1S/C10H4N2P4/c11-1-7-3-13-9(14-4-7)10-15-5-8(2-12)6-16-10/h3-6H
InChIKeyNGSIBJFODNAHGV-UHFFFAOYSA-N
XLogP5.42
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.05
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azane;benzene-1,4-dicarbonitrile
CID 174336566
2,4,6-trideuteriobenzene-1,3-dicarbonitrile
CID 165358181
(14N)benzonitrile
CID 102268532
cyclobuta-1,3-diene-1,3-dicarbonitrile
CID 101482688
tetrakis(benzonitrile);palladium(2+);dichloride
CID 173091067
4-amino(13C)benzonitrile
CID 10080388
benzonitrile;zinc
CID 87355102
sodium;benzonitrile;hydroxide
CID 174884418
benzonitrile;hydron;fluoride
CID 22022751
4-hydroxybenzonitrile
CID 53435365
CID 139265768
CID 139265768
CID 101083027
CID 101083027

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-1,3-diphosphinin-2-yl)-1,3-diphosphinine-5-carbonitrile?
The IUPAC name of 2-(5-cyano-1,3-diphosphinin-2-yl)-1,3-diphosphinine-5-carbonitrile (CID 142732987) is 2-(5-cyano-1,3-diphosphinin-2-yl)-1,3-diphosphinine-5-carbonitrile.
What is the SMILES notation for 2-(5-cyano-1,3-diphosphinin-2-yl)-1,3-diphosphinine-5-carbonitrile?
The canonical SMILES for 2-(5-cyano-1,3-diphosphinin-2-yl)-1,3-diphosphinine-5-carbonitrile is N#Cc1cpc(-c2pcc(C#N)cp2)pc1.
What is the InChIKey of 2-(5-cyano-1,3-diphosphinin-2-yl)-1,3-diphosphinine-5-carbonitrile?
The InChIKey is NGSIBJFODNAHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4N2P4/c11-1-7-3-13-9(14-4-7)10-15-5-8(2-12)6-16-10/h3-6H.
What are the key properties of 2-(5-cyano-1,3-diphosphinin-2-yl)-1,3-diphosphinine-5-carbonitrile?
2-(5-cyano-1,3-diphosphinin-2-yl)-1,3-diphosphinine-5-carbonitrile has a molecular weight of 276.05 g/mol, XLogP of 5.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-1,3-diphosphinin-2-yl)-1,3-diphosphinine-5-carbonitrile is sourced from PubChem (CID 142732987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).