carbon monoxide;molybdenum;bis(triphenylphosphanium)

C40H32MoO4P2+2 — CID 6327321

IUPACcarbon monoxide;molybdenum;bis(triphenylphosphanium)
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.4CO.Mo/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*1-2;/h2*1-15H;;;;;/p+2
InChIKeyCCZPBSUGJDVFJY-UHFFFAOYSA-P
MW734.58 g/mol
LogP6.20
Rot. Bonds6

About carbon monoxide;molybdenum;bis(triphenylphosphanium)

carbon monoxide;molybdenum;bis(triphenylphosphanium) (PubChem CID 6327321) has the molecular formula C40H32MoO4P2+2 and a molecular weight of 734.58 g/mol. Its IUPAC name is carbon monoxide;molybdenum;bis(triphenylphosphanium).

Molecular Properties

Compound Namecarbon monoxide;molybdenum;bis(triphenylphosphanium)
PubChem CID6327321
Molecular FormulaC40H32MoO4P2+2
Molecular Weight734.58 g/mol
Exact Mass736.08
IUPAC Namecarbon monoxide;molybdenum;bis(triphenylphosphanium)
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.4CO.Mo/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*1-2;/h2*1-15H;;;;;/p+2
InChIKeyCCZPBSUGJDVFJY-UHFFFAOYSA-P
XLogP6.20
TPSA79.60 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.58
LogP ≤ 56.20
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;molybdenum;bis(triphenylphosphanium)?
The IUPAC name of carbon monoxide;molybdenum;bis(triphenylphosphanium) (CID 6327321) is carbon monoxide;molybdenum;bis(triphenylphosphanium).
What is the SMILES notation for carbon monoxide;molybdenum;bis(triphenylphosphanium)?
The canonical SMILES for carbon monoxide;molybdenum;bis(triphenylphosphanium) is [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of carbon monoxide;molybdenum;bis(triphenylphosphanium)?
The InChIKey is CCZPBSUGJDVFJY-UHFFFAOYSA-P. The full InChI is InChI=1S/2C18H15P.4CO.Mo/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*1-2;/h2*1-15H;;;;;/p+2.
What are the key properties of carbon monoxide;molybdenum;bis(triphenylphosphanium)?
carbon monoxide;molybdenum;bis(triphenylphosphanium) has a molecular weight of 734.58 g/mol, XLogP of 6.20, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;molybdenum;bis(triphenylphosphanium) is sourced from PubChem (CID 6327321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).