iridium;2-phenylpyridine;10-pyridin-2-yl-1H-phenoxazin-1-ide

C28H19IrN3O-2 — CID 58644893

IUPACiridium;2-phenylpyridine;10-pyridin-2-yl-1H-phenoxazin-1-ide
SMILES[Ir].[c-]1cccc2c1N(c1ccccn1)c1ccccc1O2.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C17H11N2O.C11H8N.Ir/c1-3-9-15-13(7-1)19(17-11-5-6-12-18-17)14-8-2-4-10-16(14)20-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-7,9-12H;1-6,8-9H;/q2*-1;
InChIKeyADAKWJVWMOHVFX-UHFFFAOYSA-N
MW605.70 g/mol
LogP7.00
Rot. Bonds2

About iridium;2-phenylpyridine;10-pyridin-2-yl-1H-phenoxazin-1-ide

iridium;2-phenylpyridine;10-pyridin-2-yl-1H-phenoxazin-1-ide (PubChem CID 58644893) has the molecular formula C28H19IrN3O-2 and a molecular weight of 605.70 g/mol. Its IUPAC name is iridium;2-phenylpyridine;10-pyridin-2-yl-1H-phenoxazin-1-ide.

Molecular Properties

Compound Nameiridium;2-phenylpyridine;10-pyridin-2-yl-1H-phenoxazin-1-ide
PubChem CID58644893
Molecular FormulaC28H19IrN3O-2
Molecular Weight605.70 g/mol
Exact Mass606.12
IUPAC Nameiridium;2-phenylpyridine;10-pyridin-2-yl-1H-phenoxazin-1-ide
SMILES[Ir].[c-]1cccc2c1N(c1ccccn1)c1ccccc1O2.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C17H11N2O.C11H8N.Ir/c1-3-9-15-13(7-1)19(17-11-5-6-12-18-17)14-8-2-4-10-16(14)20-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-7,9-12H;1-6,8-9H;/q2*-1;
InChIKeyADAKWJVWMOHVFX-UHFFFAOYSA-N
XLogP7.00
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.70
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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;2-phenylpyridine;10-pyridin-2-yl-1H-phenoxazin-1-ide?
The IUPAC name of iridium;2-phenylpyridine;10-pyridin-2-yl-1H-phenoxazin-1-ide (CID 58644893) is iridium;2-phenylpyridine;10-pyridin-2-yl-1H-phenoxazin-1-ide.
What is the SMILES notation for iridium;2-phenylpyridine;10-pyridin-2-yl-1H-phenoxazin-1-ide?
The canonical SMILES for iridium;2-phenylpyridine;10-pyridin-2-yl-1H-phenoxazin-1-ide is [Ir].[c-]1cccc2c1N(c1ccccn1)c1ccccc1O2.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium;2-phenylpyridine;10-pyridin-2-yl-1H-phenoxazin-1-ide?
The InChIKey is ADAKWJVWMOHVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N2O.C11H8N.Ir/c1-3-9-15-13(7-1)19(17-11-5-6-12-18-17)14-8-2-4-10-16(14)20-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-7,9-12H;1-6,8-9H;/q2*-1;.
What are the key properties of iridium;2-phenylpyridine;10-pyridin-2-yl-1H-phenoxazin-1-ide?
iridium;2-phenylpyridine;10-pyridin-2-yl-1H-phenoxazin-1-ide has a molecular weight of 605.70 g/mol, XLogP of 7.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-phenylpyridine;10-pyridin-2-yl-1H-phenoxazin-1-ide is sourced from PubChem (CID 58644893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).