hexafluoroantimony(1-);1-[(E)-3-phenylprop-2-enyl]pyridin-1-ium-2-carbonitrile

C15H13F6N2Sb — CID 22005428

IUPAChexafluoroantimony(1-);1-[(E)-3-phenylprop-2-enyl]pyridin-1-ium-2-carbonitrile
SMILESF[Sb-](F)(F)(F)(F)F.N#Cc1cccc[n+]1C/C=C/c1ccccc1
InChIInChI=1S/C15H13N2.6FH.Sb/c16-13-15-10-4-5-11-17(15)12-6-9-14-7-2-1-3-8-14;;;;;;;/h1-11H,12H2;6*1H;/q+1;;;;;;;+5/p-6/b9-6+;;;;;;;
InChIKeyYBBBIBPYBJFBGD-ZDEZGLNTSA-H
MW457.03 g/mol
LogP4.70
Rot. Bonds3

About hexafluoroantimony(1-);1-[(E)-3-phenylprop-2-enyl]pyridin-1-ium-2-carbonitrile

hexafluoroantimony(1-);1-[(E)-3-phenylprop-2-enyl]pyridin-1-ium-2-carbonitrile (PubChem CID 22005428) has the molecular formula C15H13F6N2Sb and a molecular weight of 457.03 g/mol. Its IUPAC name is hexafluoroantimony(1-);1-[(E)-3-phenylprop-2-enyl]pyridin-1-ium-2-carbonitrile.

Molecular Properties

Compound Namehexafluoroantimony(1-);1-[(E)-3-phenylprop-2-enyl]pyridin-1-ium-2-carbonitrile
PubChem CID22005428
Molecular FormulaC15H13F6N2Sb
Molecular Weight457.03 g/mol
Exact Mass456.00
IUPAC Namehexafluoroantimony(1-);1-[(E)-3-phenylprop-2-enyl]pyridin-1-ium-2-carbonitrile
SMILESF[Sb-](F)(F)(F)(F)F.N#Cc1cccc[n+]1C/C=C/c1ccccc1
InChIInChI=1S/C15H13N2.6FH.Sb/c16-13-15-10-4-5-11-17(15)12-6-9-14-7-2-1-3-8-14;;;;;;;/h1-11H,12H2;6*1H;/q+1;;;;;;;+5/p-6/b9-6+;;;;;;;
InChIKeyYBBBIBPYBJFBGD-ZDEZGLNTSA-H
XLogP4.70
TPSA27.67 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.03
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-[(E)-3-phenylprop-2-enyl]pyridin-1-ium
CID 101166091
3-[(E)-3-phenylprop-2-enyl]-1,3-benzothiazol-3-ium
CID 118204465
1-(3-phenylprop-2-enyl)-4-[1-(3-phenylprop-2-enyl)pyridin-1-ium-4-yl]pyridin-1-ium dibromide
CID 171336477
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
hexafluoroantimony(1-);hydron;triphenyl(3-phenylprop-2-enyl)phosphanium
CID 174648580
2-[(Z)-3-phenylprop-2-enyl]propanedinitrile
CID 121008435
trifluoro-[(E)-3-phenylprop-2-enyl]boranuide
CID 101487088
hex-1-en-5-ynylbenzene
CID 54176357
[(E)-6-bromohex-1-enyl]benzene
CID 11172477
3-[(E)-3-phenylprop-2-enoxy]propanenitrile
CID 43128812
CID 140512150
CID 140512150
benzene;but-1-enylbenzene
CID 157481332

Frequently Asked Questions

What is the IUPAC name of hexafluoroantimony(1-);1-[(E)-3-phenylprop-2-enyl]pyridin-1-ium-2-carbonitrile?
The IUPAC name of hexafluoroantimony(1-);1-[(E)-3-phenylprop-2-enyl]pyridin-1-ium-2-carbonitrile (CID 22005428) is hexafluoroantimony(1-);1-[(E)-3-phenylprop-2-enyl]pyridin-1-ium-2-carbonitrile.
What is the SMILES notation for hexafluoroantimony(1-);1-[(E)-3-phenylprop-2-enyl]pyridin-1-ium-2-carbonitrile?
The canonical SMILES for hexafluoroantimony(1-);1-[(E)-3-phenylprop-2-enyl]pyridin-1-ium-2-carbonitrile is F[Sb-](F)(F)(F)(F)F.N#Cc1cccc[n+]1C/C=C/c1ccccc1.
What is the InChIKey of hexafluoroantimony(1-);1-[(E)-3-phenylprop-2-enyl]pyridin-1-ium-2-carbonitrile?
The InChIKey is YBBBIBPYBJFBGD-ZDEZGLNTSA-H. The full InChI is InChI=1S/C15H13N2.6FH.Sb/c16-13-15-10-4-5-11-17(15)12-6-9-14-7-2-1-3-8-14;;;;;;;/h1-11H,12H2;6*1H;/q+1;;;;;;;+5/p-6/b9-6+;;;;;;;.
What are the key properties of hexafluoroantimony(1-);1-[(E)-3-phenylprop-2-enyl]pyridin-1-ium-2-carbonitrile?
hexafluoroantimony(1-);1-[(E)-3-phenylprop-2-enyl]pyridin-1-ium-2-carbonitrile has a molecular weight of 457.03 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexafluoroantimony(1-);1-[(E)-3-phenylprop-2-enyl]pyridin-1-ium-2-carbonitrile is sourced from PubChem (CID 22005428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).