carbanide;iridium;2-methoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium

C17H14IrN2OY-2 — CID 58162772

IUPACcarbanide;iridium;2-methoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium
SMILESCOc1cn2c3ccccc3c3ccc[c-]c3c2n1.[CH3-].[Ir].[Y]
InChIInChI=1S/C16H11N2O.CH3.Ir.Y/c1-19-15-10-18-14-9-5-4-7-12(14)11-6-2-3-8-13(11)16(18)17-15;;;/h2-7,9-10H,1H3;1H3;;/q2*-1;;
InChIKeyXGFLEWFKZDPZQE-UHFFFAOYSA-N
MW543.44 g/mol
LogP3.89
Rot. Bonds1

About carbanide;iridium;2-methoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium

carbanide;iridium;2-methoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium (PubChem CID 58162772) has the molecular formula C17H14IrN2OY-2 and a molecular weight of 543.44 g/mol. Its IUPAC name is carbanide;iridium;2-methoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium.

Molecular Properties

Compound Namecarbanide;iridium;2-methoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium
PubChem CID58162772
Molecular FormulaC17H14IrN2OY-2
Molecular Weight543.44 g/mol
Exact Mass543.98
IUPAC Namecarbanide;iridium;2-methoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium
SMILESCOc1cn2c3ccccc3c3ccc[c-]c3c2n1.[CH3-].[Ir].[Y]
InChIInChI=1S/C16H11N2O.CH3.Ir.Y/c1-19-15-10-18-14-9-5-4-7-12(14)11-6-2-3-8-13(11)16(18)17-15;;;/h2-7,9-10H,1H3;1H3;;/q2*-1;;
InChIKeyXGFLEWFKZDPZQE-UHFFFAOYSA-N
XLogP3.89
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.44
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;iridium;2-methoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium?
The IUPAC name of carbanide;iridium;2-methoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium (CID 58162772) is carbanide;iridium;2-methoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium.
What is the SMILES notation for carbanide;iridium;2-methoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium?
The canonical SMILES for carbanide;iridium;2-methoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium is COc1cn2c3ccccc3c3ccc[c-]c3c2n1.[CH3-].[Ir].[Y].
What is the InChIKey of carbanide;iridium;2-methoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium?
The InChIKey is XGFLEWFKZDPZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N2O.CH3.Ir.Y/c1-19-15-10-18-14-9-5-4-7-12(14)11-6-2-3-8-13(11)16(18)17-15;;;/h2-7,9-10H,1H3;1H3;;/q2*-1;;.
What are the key properties of carbanide;iridium;2-methoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium?
carbanide;iridium;2-methoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium has a molecular weight of 543.44 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;iridium;2-methoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium is sourced from PubChem (CID 58162772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).