iridium(3+);penta-1,3-diene

C5H7Ir+2 — CID 172785621

IUPACiridium(3+);penta-1,3-diene
SMILES[H]/[C-]=C\C=CC.[Ir+3]
InChIInChI=1S/C5H7.Ir/c1-3-5-4-2;/h1,3-5H,2H3;/q-1;+3
InChIKeyMLVATIFYEAJNDQ-UHFFFAOYSA-N
MW259.33 g/mol
LogP1.55
Rot. Bonds1

About iridium(3+);penta-1,3-diene

iridium(3+);penta-1,3-diene (PubChem CID 172785621) has the molecular formula C5H7Ir+2 and a molecular weight of 259.33 g/mol. Its IUPAC name is iridium(3+);penta-1,3-diene.

Molecular Properties

Compound Nameiridium(3+);penta-1,3-diene
PubChem CID172785621
Molecular FormulaC5H7Ir+2
Molecular Weight259.33 g/mol
Exact Mass260.02
IUPAC Nameiridium(3+);penta-1,3-diene
SMILES[H]/[C-]=C\C=CC.[Ir+3]
InChIInChI=1S/C5H7.Ir/c1-3-5-4-2;/h1,3-5H,2H3;/q-1;+3
InChIKeyMLVATIFYEAJNDQ-UHFFFAOYSA-N
XLogP1.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze iridium(3+);penta-1,3-diene with MolForge

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

Launch Full Analysis

Related Compounds

penta-1,3-diene;titanium
CID 152746419
penta-1,3-diene;ytterbium
CID 154342036
carbanide;penta-1,3-diene;zirconium(4+)
CID 140974875
penta-1,3-diene;zirconium(4+);triiodide
CID 174911383
penta-1,3-diene;titanium;trihydrochloride
CID 173377653
bis(penta-1,3-diene);zirconium(2+);dihydrochloride
CID 173003583
carbanide;penta-1,3-diene;platinum(4+)
CID 141374787
cobalt(2+);2-methylpropanenitrile;penta-1,3-diene
CID 150721318
tris(dimethylazanide);penta-1,3-diene;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane
CID 173316749
benzene;penta-1,3-diene;titanium(3+)
CID 154083313
CID 174565519
CID 174565519
tris(dimethylazanide);3-methylpenta-1,3-diene;penta-1,3-diene;titanium(4+)
CID 159129204

Frequently Asked Questions

What is the IUPAC name of iridium(3+);penta-1,3-diene?
The IUPAC name of iridium(3+);penta-1,3-diene (CID 172785621) is iridium(3+);penta-1,3-diene.
What is the SMILES notation for iridium(3+);penta-1,3-diene?
The canonical SMILES for iridium(3+);penta-1,3-diene is [H]/[C-]=C\C=CC.[Ir+3].
What is the InChIKey of iridium(3+);penta-1,3-diene?
The InChIKey is MLVATIFYEAJNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7.Ir/c1-3-5-4-2;/h1,3-5H,2H3;/q-1;+3.
What are the key properties of iridium(3+);penta-1,3-diene?
iridium(3+);penta-1,3-diene has a molecular weight of 259.33 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iridium(3+);penta-1,3-diene is sourced from PubChem (CID 172785621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).