carbanide;cyclopenta-1,3-diene;iridium tetrahydride

C10H20Ir-6 — CID 173399564

IUPACcarbanide;cyclopenta-1,3-diene;iridium tetrahydride
SMILES[C-]1=CC=CC1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ir]
InChIInChI=1S/C5H5.5CH3.Ir/c1-2-4-5-3-1;;;;;;/h1-3H,4H2;5*1H3;/q6*-1;
InChIKeyDKZGFGPETGBSDI-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.55
Rot. Bonds

About carbanide;cyclopenta-1,3-diene;iridium tetrahydride

carbanide;cyclopenta-1,3-diene;iridium tetrahydride (PubChem CID 173399564) has the molecular formula C10H20Ir-6 and a molecular weight of 332.49 g/mol. Its IUPAC name is carbanide;cyclopenta-1,3-diene;iridium tetrahydride.

Molecular Properties

Compound Namecarbanide;cyclopenta-1,3-diene;iridium tetrahydride
PubChem CID173399564
Molecular FormulaC10H20Ir-6
Molecular Weight332.49 g/mol
Exact Mass333.12
IUPAC Namecarbanide;cyclopenta-1,3-diene;iridium tetrahydride
SMILES[C-]1=CC=CC1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ir]
InChIInChI=1S/C5H5.5CH3.Ir/c1-2-4-5-3-1;;;;;;/h1-3H,4H2;5*1H3;/q6*-1;
InChIKeyDKZGFGPETGBSDI-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.55
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 23116545
carbanide;pentakis(cyclopenta-1,3-diene);platinum
CID 175422555
carbanide;cyclopenta-1,3-diene;osmium(2+)
CID 140608310
carbanide;cyclopenta-1,3-diene;formaldehyde;iridium
CID 173408037
azanide;carbanide;cyclopenta-1,3-diene;zirconium
CID 175410282
carbanide;tris(cyclopenta-1,3-diene);tris(hafnium(4+));trihydrochloride
CID 173293314
carbanide;cyclopenta-1,3-diene;hydride;titanium(3+)
CID 173197965
carbanide;cyclopenta-1,3-diene;titanium(2+);hydrochloride
CID 174301832
carbanide;cyclopenta-1,3-diene;hydride;zirconium(4+)
CID 174257873

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopenta-1,3-diene;iridium tetrahydride?
The IUPAC name of carbanide;cyclopenta-1,3-diene;iridium tetrahydride (CID 173399564) is carbanide;cyclopenta-1,3-diene;iridium tetrahydride.
What is the SMILES notation for carbanide;cyclopenta-1,3-diene;iridium tetrahydride?
The canonical SMILES for carbanide;cyclopenta-1,3-diene;iridium tetrahydride is [C-]1=CC=CC1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ir].
What is the InChIKey of carbanide;cyclopenta-1,3-diene;iridium tetrahydride?
The InChIKey is DKZGFGPETGBSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.5CH3.Ir/c1-2-4-5-3-1;;;;;;/h1-3H,4H2;5*1H3;/q6*-1;.
What are the key properties of carbanide;cyclopenta-1,3-diene;iridium tetrahydride?
carbanide;cyclopenta-1,3-diene;iridium tetrahydride has a molecular weight of 332.49 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopenta-1,3-diene;iridium tetrahydride is sourced from PubChem (CID 173399564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).