carbanide;iridium;2-thiophen-2-ylpyridine

C11H13IrNS-2 — CID 23527880

IUPACcarbanide;iridium;2-thiophen-2-ylpyridine
SMILES[CH3-].[CH3-].[Ir].c1ccc(-c2cccs2)nc1
InChIInChI=1S/C9H7NS.2CH3.Ir/c1-2-6-10-8(4-1)9-5-3-7-11-9;;;/h1-7H;2*1H3;/q;2*-1;
InChIKeyYQTJDEADRIZOIG-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.71
Rot. Bonds1

About carbanide;iridium;2-thiophen-2-ylpyridine

carbanide;iridium;2-thiophen-2-ylpyridine (PubChem CID 23527880) has the molecular formula C11H13IrNS-2 and a molecular weight of 383.52 g/mol. Its IUPAC name is carbanide;iridium;2-thiophen-2-ylpyridine.

Molecular Properties

Compound Namecarbanide;iridium;2-thiophen-2-ylpyridine
PubChem CID23527880
Molecular FormulaC11H13IrNS-2
Molecular Weight383.52 g/mol
Exact Mass384.04
IUPAC Namecarbanide;iridium;2-thiophen-2-ylpyridine
SMILES[CH3-].[CH3-].[Ir].c1ccc(-c2cccs2)nc1
InChIInChI=1S/C9H7NS.2CH3.Ir/c1-2-6-10-8(4-1)9-5-3-7-11-9;;;/h1-7H;2*1H3;/q;2*-1;
InChIKeyYQTJDEADRIZOIG-UHFFFAOYSA-N
XLogP3.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.71
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;iridium;2-thiophen-2-ylpyridine?
The IUPAC name of carbanide;iridium;2-thiophen-2-ylpyridine (CID 23527880) is carbanide;iridium;2-thiophen-2-ylpyridine.
What is the SMILES notation for carbanide;iridium;2-thiophen-2-ylpyridine?
The canonical SMILES for carbanide;iridium;2-thiophen-2-ylpyridine is [CH3-].[CH3-].[Ir].c1ccc(-c2cccs2)nc1.
What is the InChIKey of carbanide;iridium;2-thiophen-2-ylpyridine?
The InChIKey is YQTJDEADRIZOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NS.2CH3.Ir/c1-2-6-10-8(4-1)9-5-3-7-11-9;;;/h1-7H;2*1H3;/q;2*-1;.
What are the key properties of carbanide;iridium;2-thiophen-2-ylpyridine?
carbanide;iridium;2-thiophen-2-ylpyridine has a molecular weight of 383.52 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;iridium;2-thiophen-2-ylpyridine is sourced from PubChem (CID 23527880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).