ethylphosphanium;tetracyanoboranuide

C6H8BN4P — CID 90426635

IUPACethylphosphanium;tetracyanoboranuide
SMILESCC[PH3+].N#C[B-](C#N)(C#N)C#N
InChIInChI=1S/C4BN4.C2H7P/c6-1-5(2-7,3-8)4-9;1-2-3/h;2-3H2,1H3/q-1;/p+1
InChIKeyZMNNLHFVGHHIER-UHFFFAOYSA-O
MW177.94 g/mol
LogP0.30
Rot. Bonds

About ethylphosphanium;tetracyanoboranuide

ethylphosphanium;tetracyanoboranuide (PubChem CID 90426635) has the molecular formula C6H8BN4P and a molecular weight of 177.94 g/mol. Its IUPAC name is ethylphosphanium;tetracyanoboranuide.

Molecular Properties

Compound Nameethylphosphanium;tetracyanoboranuide
PubChem CID90426635
Molecular FormulaC6H8BN4P
Molecular Weight177.94 g/mol
Exact Mass178.06
IUPAC Nameethylphosphanium;tetracyanoboranuide
SMILESCC[PH3+].N#C[B-](C#N)(C#N)C#N
InChIInChI=1S/C4BN4.C2H7P/c6-1-5(2-7,3-8)4-9;1-2-3/h;2-3H2,1H3/q-1;/p+1
InChIKeyZMNNLHFVGHHIER-UHFFFAOYSA-O
XLogP0.30
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.94
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tetrabutylphosphanium;tetracyanoboranuide
CID 87443480
cyano(triethyl)boranuide
CID 15150971
bis(1-octylpyridin-1-ium);bis(tetracyanoboranuide);bromide
CID 158475094
butane;propanenitrile
CID 174979809
butane;oxotin;hydrate
CID 174908567
butanenitrile;ethane
CID 91457061
alumane;butanenitrile
CID 174728323
acetonitrile;nonane;tetrafluoroborate
CID 175569585
2-(tripropyl-λ5-phosphanylidene)acetonitrile
CID 139776356
propanenitrile bromide
CID 19792087
CID 172807183
CID 172807183
butane;λ2-stannane;hydrate
CID 174554666

Frequently Asked Questions

What is the IUPAC name of ethylphosphanium;tetracyanoboranuide?
The IUPAC name of ethylphosphanium;tetracyanoboranuide (CID 90426635) is ethylphosphanium;tetracyanoboranuide.
What is the SMILES notation for ethylphosphanium;tetracyanoboranuide?
The canonical SMILES for ethylphosphanium;tetracyanoboranuide is CC[PH3+].N#C[B-](C#N)(C#N)C#N.
What is the InChIKey of ethylphosphanium;tetracyanoboranuide?
The InChIKey is ZMNNLHFVGHHIER-UHFFFAOYSA-O. The full InChI is InChI=1S/C4BN4.C2H7P/c6-1-5(2-7,3-8)4-9;1-2-3/h;2-3H2,1H3/q-1;/p+1.
What are the key properties of ethylphosphanium;tetracyanoboranuide?
ethylphosphanium;tetracyanoboranuide has a molecular weight of 177.94 g/mol, XLogP of 0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethylphosphanium;tetracyanoboranuide is sourced from PubChem (CID 90426635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).