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

C12H24IrO2-6 — CID 173408037

IUPACcarbanide;cyclopenta-1,3-diene;formaldehyde;iridium
SMILESC=O.C=O.[C-]1=CC=CC1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ir]
InChIInChI=1S/C5H5.2CH2O.5CH3.Ir/c1-2-4-5-3-1;2*1-2;;;;;;/h1-3H,4H2;2*1H2;5*1H3;/q-1;;;5*-1;
InChIKeyDPNBTRIVWXMMGP-UHFFFAOYSA-N
MW392.54 g/mol
LogP3.18
Rot. Bonds

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

carbanide;cyclopenta-1,3-diene;formaldehyde;iridium (PubChem CID 173408037) has the molecular formula C12H24IrO2-6 and a molecular weight of 392.54 g/mol. Its IUPAC name is carbanide;cyclopenta-1,3-diene;formaldehyde;iridium.

Molecular Properties

Compound Namecarbanide;cyclopenta-1,3-diene;formaldehyde;iridium
PubChem CID173408037
Molecular FormulaC12H24IrO2-6
Molecular Weight392.54 g/mol
Exact Mass393.14
IUPAC Namecarbanide;cyclopenta-1,3-diene;formaldehyde;iridium
SMILESC=O.C=O.[C-]1=CC=CC1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ir]
InChIInChI=1S/C5H5.2CH2O.5CH3.Ir/c1-2-4-5-3-1;2*1-2;;;;;;/h1-3H,4H2;2*1H2;5*1H3;/q-1;;;5*-1;
InChIKeyDPNBTRIVWXMMGP-UHFFFAOYSA-N
XLogP3.18
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopenta-1,3-diene;formaldehyde;iridium?
The IUPAC name of carbanide;cyclopenta-1,3-diene;formaldehyde;iridium (CID 173408037) is carbanide;cyclopenta-1,3-diene;formaldehyde;iridium.
What is the SMILES notation for carbanide;cyclopenta-1,3-diene;formaldehyde;iridium?
The canonical SMILES for carbanide;cyclopenta-1,3-diene;formaldehyde;iridium is C=O.C=O.[C-]1=CC=CC1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ir].
What is the InChIKey of carbanide;cyclopenta-1,3-diene;formaldehyde;iridium?
The InChIKey is DPNBTRIVWXMMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.2CH2O.5CH3.Ir/c1-2-4-5-3-1;2*1-2;;;;;;/h1-3H,4H2;2*1H2;5*1H3;/q-1;;;5*-1;.
What are the key properties of carbanide;cyclopenta-1,3-diene;formaldehyde;iridium?
carbanide;cyclopenta-1,3-diene;formaldehyde;iridium has a molecular weight of 392.54 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopenta-1,3-diene;formaldehyde;iridium is sourced from PubChem (CID 173408037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).