benzene;fluoronickel;tricyclohexylphosphanium

C24H39FNiP — CID 166444151

IUPACbenzene;fluoronickel;tricyclohexylphosphanium
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.F[Ni].[c-]1ccccc1
InChIInChI=1S/C18H33P.C6H5.FH.Ni/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5-3-1;;/h16-18H,1-15H2;1-5H;1H;/q;-1;;+1
InChIKeyQHRSLOQVCQKYDZ-UHFFFAOYSA-N
MW436.24 g/mol
LogP8.10
Rot. Bonds3

About benzene;fluoronickel;tricyclohexylphosphanium

benzene;fluoronickel;tricyclohexylphosphanium (PubChem CID 166444151) has the molecular formula C24H39FNiP and a molecular weight of 436.24 g/mol. Its IUPAC name is benzene;fluoronickel;tricyclohexylphosphanium.

Molecular Properties

Compound Namebenzene;fluoronickel;tricyclohexylphosphanium
PubChem CID166444151
Molecular FormulaC24H39FNiP
Molecular Weight436.24 g/mol
Exact Mass435.21
IUPAC Namebenzene;fluoronickel;tricyclohexylphosphanium
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.F[Ni].[c-]1ccccc1
InChIInChI=1S/C18H33P.C6H5.FH.Ni/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5-3-1;;/h16-18H,1-15H2;1-5H;1H;/q;-1;;+1
InChIKeyQHRSLOQVCQKYDZ-UHFFFAOYSA-N
XLogP8.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.24
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;fluoronickel;tricyclohexylphosphanium?
The IUPAC name of benzene;fluoronickel;tricyclohexylphosphanium (CID 166444151) is benzene;fluoronickel;tricyclohexylphosphanium.
What is the SMILES notation for benzene;fluoronickel;tricyclohexylphosphanium?
The canonical SMILES for benzene;fluoronickel;tricyclohexylphosphanium is C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.F[Ni].[c-]1ccccc1.
What is the InChIKey of benzene;fluoronickel;tricyclohexylphosphanium?
The InChIKey is QHRSLOQVCQKYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33P.C6H5.FH.Ni/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5-3-1;;/h16-18H,1-15H2;1-5H;1H;/q;-1;;+1.
What are the key properties of benzene;fluoronickel;tricyclohexylphosphanium?
benzene;fluoronickel;tricyclohexylphosphanium has a molecular weight of 436.24 g/mol, XLogP of 8.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;fluoronickel;tricyclohexylphosphanium is sourced from PubChem (CID 166444151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).