methanone;rhodium(2+);bis(triphenylphosphanium);chloride

C37H33ClOP2Rh+2 — CID 71463886

IUPACmethanone;rhodium(2+);bis(triphenylphosphanium);chloride
SMILES[CH-]=O.[Cl-].[Rh+2].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.CHO.ClH.Rh/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;/h2*1-15H;1H;1H;/q;;-1;;+2/p+1
InChIKeyDVNLUWGAKBZMRX-UHFFFAOYSA-O
MW693.98 g/mol
LogP3.08
Rot. Bonds6

About methanone;rhodium(2+);bis(triphenylphosphanium);chloride

methanone;rhodium(2+);bis(triphenylphosphanium);chloride (PubChem CID 71463886) has the molecular formula C37H33ClOP2Rh+2 and a molecular weight of 693.98 g/mol. Its IUPAC name is methanone;rhodium(2+);bis(triphenylphosphanium);chloride.

Molecular Properties

Compound Namemethanone;rhodium(2+);bis(triphenylphosphanium);chloride
PubChem CID71463886
Molecular FormulaC37H33ClOP2Rh+2
Molecular Weight693.98 g/mol
Exact Mass693.07
IUPAC Namemethanone;rhodium(2+);bis(triphenylphosphanium);chloride
SMILES[CH-]=O.[Cl-].[Rh+2].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.CHO.ClH.Rh/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;/h2*1-15H;1H;1H;/q;;-1;;+2/p+1
InChIKeyDVNLUWGAKBZMRX-UHFFFAOYSA-O
XLogP3.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500693.98
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tetrakis(triphenylphosphine)palladium
CID 11979704
Bis(triphenylphosphine)dicarbonylnickel
CID 16211556
Stryker's reagent
CID 11982471
Bis(triphenylphosphine)nickel(II) chloride
CID 171039968
Dichlorobis(triphenylphosphine)palladium
CID 6102075
Bis(triphenylphosphine)iminium chloride
CID 3036656
Bis(2-(diphenylphosphino)ethyl)phenylphosphine
CID 90192
Carbonylchlorobis(triphenylphosphine)iridium, trans-
CID 492275
(T-4)-Iodotris(triphenylphosphine)copper
CID 11389026
Bis(triphenylphosphine)palladium(II) dichloride
CID 6332635
Tris(2-(diphenylphosphino)ethyl)phosphine
CID 98777
Trichloro[1,1,1-tris(diphenylphosphinomethyl)ethane]rhodium(III)
CID 492259

Frequently Asked Questions

What is the IUPAC name of methanone;rhodium(2+);bis(triphenylphosphanium);chloride?
The IUPAC name of methanone;rhodium(2+);bis(triphenylphosphanium);chloride (CID 71463886) is methanone;rhodium(2+);bis(triphenylphosphanium);chloride.
What is the SMILES notation for methanone;rhodium(2+);bis(triphenylphosphanium);chloride?
The canonical SMILES for methanone;rhodium(2+);bis(triphenylphosphanium);chloride is [CH-]=O.[Cl-].[Rh+2].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of methanone;rhodium(2+);bis(triphenylphosphanium);chloride?
The InChIKey is DVNLUWGAKBZMRX-UHFFFAOYSA-O. The full InChI is InChI=1S/2C18H15P.CHO.ClH.Rh/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;/h2*1-15H;1H;1H;/q;;-1;;+2/p+1.
What are the key properties of methanone;rhodium(2+);bis(triphenylphosphanium);chloride?
methanone;rhodium(2+);bis(triphenylphosphanium);chloride has a molecular weight of 693.98 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanone;rhodium(2+);bis(triphenylphosphanium);chloride is sourced from PubChem (CID 71463886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).