carbon monoxide;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);molybdenum

C54H52MoO2P4+4 — CID 54606966

IUPACcarbon monoxide;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);molybdenum
SMILES[C-]#[O+].[C-]#[O+].[Mo].c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C26H24P2.2CO.Mo/c2*1-5-13-23(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;2*1-2;/h2*1-20H,21-22H2;;;/p+4
InChIKeyWMQILXHKZKCVAW-UHFFFAOYSA-R
MW952.84 g/mol
LogP9.36
Rot. Bonds14

About carbon monoxide;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);molybdenum

carbon monoxide;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);molybdenum (PubChem CID 54606966) has the molecular formula C54H52MoO2P4+4 and a molecular weight of 952.84 g/mol. Its IUPAC name is carbon monoxide;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);molybdenum.

Molecular Properties

Compound Namecarbon monoxide;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);molybdenum
PubChem CID54606966
Molecular FormulaC54H52MoO2P4+4
Molecular Weight952.84 g/mol
Exact Mass954.19
IUPAC Namecarbon monoxide;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);molybdenum
SMILES[C-]#[O+].[C-]#[O+].[Mo].c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C26H24P2.2CO.Mo/c2*1-5-13-23(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;2*1-2;/h2*1-20H,21-22H2;;;/p+4
InChIKeyWMQILXHKZKCVAW-UHFFFAOYSA-R
XLogP9.36
TPSA39.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500952.84
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);molybdenum?
The IUPAC name of carbon monoxide;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);molybdenum (CID 54606966) is carbon monoxide;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);molybdenum.
What is the SMILES notation for carbon monoxide;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);molybdenum?
The canonical SMILES for carbon monoxide;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);molybdenum is [C-]#[O+].[C-]#[O+].[Mo].c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of carbon monoxide;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);molybdenum?
The InChIKey is WMQILXHKZKCVAW-UHFFFAOYSA-R. The full InChI is InChI=1S/2C26H24P2.2CO.Mo/c2*1-5-13-23(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;2*1-2;/h2*1-20H,21-22H2;;;/p+4.
What are the key properties of carbon monoxide;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);molybdenum?
carbon monoxide;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);molybdenum has a molecular weight of 952.84 g/mol, XLogP of 9.36, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);molybdenum is sourced from PubChem (CID 54606966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).