carbanide;chloropalladium(1+);propane;tricyclohexylphosphanium

C22H45ClPPd+ — CID 159180394

IUPACcarbanide;chloropalladium(1+);propane;tricyclohexylphosphanium
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CCC.Cl[Pd+].[CH3-]
InChIInChI=1S/C18H33P.C3H8.CH3.ClH.Pd/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-2;;;/h16-18H,1-15H2;3H2,1-2H3;1H3;1H;/q;;-1;;+2
InChIKeyMJFKIEKEBXJUDN-UHFFFAOYSA-N
MW482.45 g/mol
LogP8.75
Rot. Bonds3

About carbanide;chloropalladium(1+);propane;tricyclohexylphosphanium

carbanide;chloropalladium(1+);propane;tricyclohexylphosphanium (PubChem CID 159180394) has the molecular formula C22H45ClPPd+ and a molecular weight of 482.45 g/mol. Its IUPAC name is carbanide;chloropalladium(1+);propane;tricyclohexylphosphanium.

Molecular Properties

Compound Namecarbanide;chloropalladium(1+);propane;tricyclohexylphosphanium
PubChem CID159180394
Molecular FormulaC22H45ClPPd+
Molecular Weight482.45 g/mol
Exact Mass481.20
IUPAC Namecarbanide;chloropalladium(1+);propane;tricyclohexylphosphanium
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CCC.Cl[Pd+].[CH3-]
InChIInChI=1S/C18H33P.C3H8.CH3.ClH.Pd/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-2;;;/h16-18H,1-15H2;3H2,1-2H3;1H3;1H;/q;;-1;;+2
InChIKeyMJFKIEKEBXJUDN-UHFFFAOYSA-N
XLogP8.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.45
LogP ≤ 58.75
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 23531107
carbanide;dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;nickel(2+)
CID 162413994
dichloro-[(E)-oct-6-enylidene]ruthenium;bis(tricyclohexylphosphanium)
CID 23520459
palladium;prop-1-ene;tricyclopentylphosphanium
CID 87962886
methane;methylcyclohexane;propane
CID 143031585
cyclopropane;methane;propane
CID 162181556
cyclobutane;ethane;propane
CID 142065255
cycloheptane;ethane;propane
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CID 91197261

Frequently Asked Questions

What is the IUPAC name of carbanide;chloropalladium(1+);propane;tricyclohexylphosphanium?
The IUPAC name of carbanide;chloropalladium(1+);propane;tricyclohexylphosphanium (CID 159180394) is carbanide;chloropalladium(1+);propane;tricyclohexylphosphanium.
What is the SMILES notation for carbanide;chloropalladium(1+);propane;tricyclohexylphosphanium?
The canonical SMILES for carbanide;chloropalladium(1+);propane;tricyclohexylphosphanium is C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CCC.Cl[Pd+].[CH3-].
What is the InChIKey of carbanide;chloropalladium(1+);propane;tricyclohexylphosphanium?
The InChIKey is MJFKIEKEBXJUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33P.C3H8.CH3.ClH.Pd/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-2;;;/h16-18H,1-15H2;3H2,1-2H3;1H3;1H;/q;;-1;;+2.
What are the key properties of carbanide;chloropalladium(1+);propane;tricyclohexylphosphanium?
carbanide;chloropalladium(1+);propane;tricyclohexylphosphanium has a molecular weight of 482.45 g/mol, XLogP of 8.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;chloropalladium(1+);propane;tricyclohexylphosphanium is sourced from PubChem (CID 159180394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).