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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Related Compounds

carbanide;2-methoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+);yttrium
CID 58162733
2-benzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-yloxy-12H-imidazo[1,2-f]phenanthridin-12-ide;osmium(1+)
CID 140807980
carbanide;iridium;12H-tetrazolo[1,5-f]phenanthridin-12-ide;yttrium
CID 58162743
2-[2,6-dimethyl-4-(2-methylbutyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+);2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 59358319
carbanide;3-(2-carbazol-9-ylpropan-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium
CID 58162789
bromozinc(1+);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 58163088
CID 140693830
CID 140693830
N,N-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-7-amine;2-ethoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;12H-imidazo[1,2-f]phenanthridin-12-ide-10-carbonitrile;pentakis(iridium);3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-methylsulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 159110677
iridium;7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;praseodymium
CID 59858700
11-fluoro-2-[2-(11-fluoro-12H-imidazo[1,2-f]phenanthridin-12-id-2-yl)ethyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 58202854
carbanide;N,N-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-6-amine;platinum(2+);yttrium
CID 58162663
CID 58944095
CID 58944095

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).