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

C5H5Ir+2 — CID 19920890

IUPACcyclopenta-1,3-diene;iridium(3+)
SMILES[C-]1=CC=CC1.[Ir+3]
InChIInChI=1S/C5H5.Ir/c1-2-4-5-3-1;/h1-3H,4H2;/q-1;+3
InChIKeyQAPIHSINJVVBNE-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.30
Rot. Bonds

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

cyclopenta-1,3-diene;iridium(3+) (PubChem CID 19920890) has the molecular formula C5H5Ir+2 and a molecular weight of 257.31 g/mol. Its IUPAC name is cyclopenta-1,3-diene;iridium(3+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;iridium(3+)
PubChem CID19920890
Molecular FormulaC5H5Ir+2
Molecular Weight257.31 g/mol
Exact Mass258.00
IUPAC Namecyclopenta-1,3-diene;iridium(3+)
SMILES[C-]1=CC=CC1.[Ir+3]
InChIInChI=1S/C5H5.Ir/c1-2-4-5-3-1;/h1-3H,4H2;/q-1;+3
InChIKeyQAPIHSINJVVBNE-UHFFFAOYSA-N
XLogP1.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 20516591
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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;iridium(3+)?
The IUPAC name of cyclopenta-1,3-diene;iridium(3+) (CID 19920890) is cyclopenta-1,3-diene;iridium(3+).
What is the SMILES notation for cyclopenta-1,3-diene;iridium(3+)?
The canonical SMILES for cyclopenta-1,3-diene;iridium(3+) is [C-]1=CC=CC1.[Ir+3].
What is the InChIKey of cyclopenta-1,3-diene;iridium(3+)?
The InChIKey is QAPIHSINJVVBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.Ir/c1-2-4-5-3-1;/h1-3H,4H2;/q-1;+3.
What are the key properties of cyclopenta-1,3-diene;iridium(3+)?
cyclopenta-1,3-diene;iridium(3+) has a molecular weight of 257.31 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;iridium(3+) is sourced from PubChem (CID 19920890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).