carbon monoxide;rhenium;triphenylphosphane

C22H15O4PRe — CID 139109889

IUPACcarbon monoxide;rhenium;triphenylphosphane
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.4CO.Re/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*1-2;/h1-15H;;;;;
InChIKeyYSFUHCJNFBLIKK-UHFFFAOYSA-N
MW560.54 g/mol
LogP3.29
Rot. Bonds3

About carbon monoxide;rhenium;triphenylphosphane

carbon monoxide;rhenium;triphenylphosphane (PubChem CID 139109889) has the molecular formula C22H15O4PRe and a molecular weight of 560.54 g/mol. Its IUPAC name is carbon monoxide;rhenium;triphenylphosphane.

Molecular Properties

Compound Namecarbon monoxide;rhenium;triphenylphosphane
PubChem CID139109889
Molecular FormulaC22H15O4PRe
Molecular Weight560.54 g/mol
Exact Mass561.03
IUPAC Namecarbon monoxide;rhenium;triphenylphosphane
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.4CO.Re/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*1-2;/h1-15H;;;;;
InChIKeyYSFUHCJNFBLIKK-UHFFFAOYSA-N
XLogP3.29
TPSA79.60 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.54
LogP ≤ 53.29
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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Related Compounds

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CID 10963762
carbon monoxide;iridium;bis(triphenylphosphane);iodide
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CID 10931243
carbon monoxide;platinum;sulfanide;bis(triphenylphosphane)
CID 10931102
carbon monoxide;iridium;bis(triphenylphosphane);dibromide
CID 155883167
carbon monoxide;ruthenium(1+);bis(triphenylphosphane);dihydrochloride
CID 170843767
stibane;triphenylphosphane;hexahydrofluoride
CID 174582566
triphenylphosphane
CID 139056248
carbon monoxide;dichlororhodium;bis(triphenylphosphane)
CID 11136420
rhenium;bis(triphenylphosphane);trichloride;hydrate
CID 131675016
pentakis(palladium);hexadecakis(triphenylphosphane)
CID 173116735
tris(triphenylphosphane);trihydrochloride
CID 173282987

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;rhenium;triphenylphosphane?
The IUPAC name of carbon monoxide;rhenium;triphenylphosphane (CID 139109889) is carbon monoxide;rhenium;triphenylphosphane.
What is the SMILES notation for carbon monoxide;rhenium;triphenylphosphane?
The canonical SMILES for carbon monoxide;rhenium;triphenylphosphane is [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of carbon monoxide;rhenium;triphenylphosphane?
The InChIKey is YSFUHCJNFBLIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.4CO.Re/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*1-2;/h1-15H;;;;;.
What are the key properties of carbon monoxide;rhenium;triphenylphosphane?
carbon monoxide;rhenium;triphenylphosphane has a molecular weight of 560.54 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;rhenium;triphenylphosphane is sourced from PubChem (CID 139109889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).