carbon monoxide;pentalene;rhenium

C14H6O6Re2 — CID 139264183

IUPACcarbon monoxide;pentalene;rhenium
SMILESC1=CC2=CC=CC2=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].[Re]
InChIInChI=1S/C8H6.6CO.2Re/c1-3-7-5-2-6-8(7)4-1;6*1-2;;/h1-6H;;;;;;;;
InChIKeyLUWPVSLNAZIFHQ-UHFFFAOYSA-N
MW642.61 g/mol
LogP1.75
Rot. Bonds

About carbon monoxide;pentalene;rhenium

carbon monoxide;pentalene;rhenium (PubChem CID 139264183) has the molecular formula C14H6O6Re2 and a molecular weight of 642.61 g/mol. Its IUPAC name is carbon monoxide;pentalene;rhenium.

Molecular Properties

Compound Namecarbon monoxide;pentalene;rhenium
PubChem CID139264183
Molecular FormulaC14H6O6Re2
Molecular Weight642.61 g/mol
Exact Mass643.93
IUPAC Namecarbon monoxide;pentalene;rhenium
SMILESC1=CC2=CC=CC2=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].[Re]
InChIInChI=1S/C8H6.6CO.2Re/c1-3-7-5-2-6-8(7)4-1;6*1-2;;/h1-6H;;;;;;;;
InChIKeyLUWPVSLNAZIFHQ-UHFFFAOYSA-N
XLogP1.75
TPSA119.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500642.61
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'}

Analyze carbon monoxide;pentalene;rhenium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;pentalene;rhenium?
The IUPAC name of carbon monoxide;pentalene;rhenium (CID 139264183) is carbon monoxide;pentalene;rhenium.
What is the SMILES notation for carbon monoxide;pentalene;rhenium?
The canonical SMILES for carbon monoxide;pentalene;rhenium is C1=CC2=CC=CC2=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].[Re].
What is the InChIKey of carbon monoxide;pentalene;rhenium?
The InChIKey is LUWPVSLNAZIFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6.6CO.2Re/c1-3-7-5-2-6-8(7)4-1;6*1-2;;/h1-6H;;;;;;;;.
What are the key properties of carbon monoxide;pentalene;rhenium?
carbon monoxide;pentalene;rhenium has a molecular weight of 642.61 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;pentalene;rhenium is sourced from PubChem (CID 139264183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).