iridium(3+);bis(3-phenyl-2H-pyridin-2-ide)

C22H16IrN2+ — CID 175918735

IUPACiridium(3+);bis(3-phenyl-2H-pyridin-2-ide)
SMILES[Ir+3].[c-]1ncccc1-c1ccccc1.[c-]1ncccc1-c1ccccc1
InChIInChI=1S/2C11H8N.Ir/c2*1-2-5-10(6-3-1)11-7-4-8-12-9-11;/h2*1-8H;/q2*-1;+3
InChIKeyVZYZIAFYJPSLGZ-UHFFFAOYSA-N
MW500.60 g/mol
LogP5.10
Rot. Bonds2

About iridium(3+);bis(3-phenyl-2H-pyridin-2-ide)

iridium(3+);bis(3-phenyl-2H-pyridin-2-ide) (PubChem CID 175918735) has the molecular formula C22H16IrN2+ and a molecular weight of 500.60 g/mol. Its IUPAC name is iridium(3+);bis(3-phenyl-2H-pyridin-2-ide).

Molecular Properties

Compound Nameiridium(3+);bis(3-phenyl-2H-pyridin-2-ide)
PubChem CID175918735
Molecular FormulaC22H16IrN2+
Molecular Weight500.60 g/mol
Exact Mass501.09
IUPAC Nameiridium(3+);bis(3-phenyl-2H-pyridin-2-ide)
SMILES[Ir+3].[c-]1ncccc1-c1ccccc1.[c-]1ncccc1-c1ccccc1
InChIInChI=1S/2C11H8N.Ir/c2*1-2-5-10(6-3-1)11-7-4-8-12-9-11;/h2*1-8H;/q2*-1;+3
InChIKeyVZYZIAFYJPSLGZ-UHFFFAOYSA-N
XLogP5.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.60
LogP ≤ 55.10
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 iridium(3+);bis(3-phenyl-2H-pyridin-2-ide)?
The IUPAC name of iridium(3+);bis(3-phenyl-2H-pyridin-2-ide) (CID 175918735) is iridium(3+);bis(3-phenyl-2H-pyridin-2-ide).
What is the SMILES notation for iridium(3+);bis(3-phenyl-2H-pyridin-2-ide)?
The canonical SMILES for iridium(3+);bis(3-phenyl-2H-pyridin-2-ide) is [Ir+3].[c-]1ncccc1-c1ccccc1.[c-]1ncccc1-c1ccccc1.
What is the InChIKey of iridium(3+);bis(3-phenyl-2H-pyridin-2-ide)?
The InChIKey is VZYZIAFYJPSLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H8N.Ir/c2*1-2-5-10(6-3-1)11-7-4-8-12-9-11;/h2*1-8H;/q2*-1;+3.
What are the key properties of iridium(3+);bis(3-phenyl-2H-pyridin-2-ide)?
iridium(3+);bis(3-phenyl-2H-pyridin-2-ide) has a molecular weight of 500.60 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium(3+);bis(3-phenyl-2H-pyridin-2-ide) is sourced from PubChem (CID 175918735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).