carbanide;dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;nickel(2+)

C28H56NiP2+2 — CID 162413994

IUPACcarbanide;dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;nickel(2+)
SMILESC1CCC([PH+](CC[PH+](C2CCCCC2)C2CCCCC2)C2CCCCC2)CC1.[CH3-].[CH3-].[Ni+2]
InChIInChI=1S/C26H48P2.2CH3.Ni/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;;;/h23-26H,1-22H2;2*1H3;/q;2*-1;+2/p+2
InChIKeyXKECHAQCCHZCMU-UHFFFAOYSA-P
MW513.40 g/mol
LogP9.64
Rot. Bonds7

About carbanide;dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;nickel(2+)

carbanide;dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;nickel(2+) (PubChem CID 162413994) has the molecular formula C28H56NiP2+2 and a molecular weight of 513.40 g/mol. Its IUPAC name is carbanide;dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;nickel(2+).

Molecular Properties

Compound Namecarbanide;dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;nickel(2+)
PubChem CID162413994
Molecular FormulaC28H56NiP2+2
Molecular Weight513.40 g/mol
Exact Mass512.32
IUPAC Namecarbanide;dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;nickel(2+)
SMILESC1CCC([PH+](CC[PH+](C2CCCCC2)C2CCCCC2)C2CCCCC2)CC1.[CH3-].[CH3-].[Ni+2]
InChIInChI=1S/C26H48P2.2CH3.Ni/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;;;/h23-26H,1-22H2;2*1H3;/q;2*-1;+2/p+2
InChIKeyXKECHAQCCHZCMU-UHFFFAOYSA-P
XLogP9.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.40
LogP ≤ 59.64
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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Related Compounds

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CID 76540697
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CID 159180394
carbanide;cyclopentane;cyclopentanecarbaldehyde;iron(2+)
CID 91654218
disilver;dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;bis(9-ethynylphenanthrene)
CID 162499411
cyclodecanecarbaldehyde
CID 13240747
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CID 164790075
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CID 162297269
cyclopentadecane-1,5-dicarbaldehyde
CID 135390185
cyclooctane-1,4-dicarbaldehyde
CID 19884381
carbanide;cyclopentane;cyclopentanecarbaldehyde;ethane;ruthenium(2+)
CID 162292523
dichloro(methylidene)ruthenium;bis(tricyclohexylphosphanium)
CID 23520456

Frequently Asked Questions

What is the IUPAC name of carbanide;dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;nickel(2+)?
The IUPAC name of carbanide;dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;nickel(2+) (CID 162413994) is carbanide;dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;nickel(2+).
What is the SMILES notation for carbanide;dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;nickel(2+)?
The canonical SMILES for carbanide;dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;nickel(2+) is C1CCC([PH+](CC[PH+](C2CCCCC2)C2CCCCC2)C2CCCCC2)CC1.[CH3-].[CH3-].[Ni+2].
What is the InChIKey of carbanide;dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;nickel(2+)?
The InChIKey is XKECHAQCCHZCMU-UHFFFAOYSA-P. The full InChI is InChI=1S/C26H48P2.2CH3.Ni/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;;;/h23-26H,1-22H2;2*1H3;/q;2*-1;+2/p+2.
What are the key properties of carbanide;dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;nickel(2+)?
carbanide;dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;nickel(2+) has a molecular weight of 513.40 g/mol, XLogP of 9.64, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;nickel(2+) is sourced from PubChem (CID 162413994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).