Molybdenum, pentacarbonyl(triphenylarsine)-

C23H16AsMoO5 — CID 6377774

IUPAC—
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo].c1ccc([AsH](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H16As.5CO.Mo/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;5*1-2;/h1-15,19H;;;;;;
InChIKeyGOZRWSUDFDRWSW-UHFFFAOYSA-N
MW543.24 g/mol
LogP1.75
Rot. Bonds3

About Molybdenum, pentacarbonyl(triphenylarsine)-

Molybdenum, pentacarbonyl(triphenylarsine)- (PubChem CID 6377774) has the molecular formula C23H16AsMoO5 and a molecular weight of 543.24 g/mol.

Molecular Properties

Compound NameMolybdenum, pentacarbonyl(triphenylarsine)-
PubChem CID6377774
Molecular FormulaC23H16AsMoO5
Molecular Weight543.24 g/mol
Exact Mass544.93
IUPAC Name—
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo].c1ccc([AsH](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H16As.5CO.Mo/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;5*1-2;/h1-15,19H;;;;;;
InChIKeyGOZRWSUDFDRWSW-UHFFFAOYSA-N
XLogP1.75
TPSA99.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.24
LogP ≤ 51.75
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': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of Molybdenum, pentacarbonyl(triphenylarsine)-?
The IUPAC name of Molybdenum, pentacarbonyl(triphenylarsine)- (CID 6377774) is not available.
What is the SMILES notation for Molybdenum, pentacarbonyl(triphenylarsine)-?
The canonical SMILES for Molybdenum, pentacarbonyl(triphenylarsine)- is [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo].c1ccc([AsH](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of Molybdenum, pentacarbonyl(triphenylarsine)-?
The InChIKey is GOZRWSUDFDRWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16As.5CO.Mo/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;5*1-2;/h1-15,19H;;;;;;.
What are the key properties of Molybdenum, pentacarbonyl(triphenylarsine)-?
Molybdenum, pentacarbonyl(triphenylarsine)- has a molecular weight of 543.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Molybdenum, pentacarbonyl(triphenylarsine)- is sourced from PubChem (CID 6377774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).