carbanide;iridium;2-phenylquinoline;yttrium

C16H13IrNY-2 — CID 59824492

IUPACcarbanide;iridium;2-phenylquinoline;yttrium
SMILES[CH3-].[Ir].[Y].[c-]1ccccc1-c1ccc2ccccc2n1
InChIInChI=1S/C15H10N.CH3.Ir.Y/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;;;/h1-6,8-11H;1H3;;/q2*-1;;
InChIKeyKXIMHENYHBSBCO-UHFFFAOYSA-N
MW500.41 g/mol
LogP4.15
Rot. Bonds1

About carbanide;iridium;2-phenylquinoline;yttrium

carbanide;iridium;2-phenylquinoline;yttrium (PubChem CID 59824492) has the molecular formula C16H13IrNY-2 and a molecular weight of 500.41 g/mol. Its IUPAC name is carbanide;iridium;2-phenylquinoline;yttrium.

Molecular Properties

Compound Namecarbanide;iridium;2-phenylquinoline;yttrium
PubChem CID59824492
Molecular FormulaC16H13IrNY-2
Molecular Weight500.41 g/mol
Exact Mass500.97
IUPAC Namecarbanide;iridium;2-phenylquinoline;yttrium
SMILES[CH3-].[Ir].[Y].[c-]1ccccc1-c1ccc2ccccc2n1
InChIInChI=1S/C15H10N.CH3.Ir.Y/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;;;/h1-6,8-11H;1H3;;/q2*-1;;
InChIKeyKXIMHENYHBSBCO-UHFFFAOYSA-N
XLogP4.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.41
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 21044184
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CID 146899847
1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium;2-phenylquinoline
CID 140663295
(Z)-6-hydroxy-2,8-dimethylnon-5-en-4-one;iridium;2-phenylquinoline
CID 155627723
iridium;2-phenylquinoline;1-phenyl-5-(2,4,6-trimethylphenyl)pyrazole
CID 157261228
8-hydroxy-3,4,4a,5,6,7-hexahydro-2H-naphthalen-1-one;iridium;2-phenylquinoline
CID 170528108
iridium;2-(3-isocyanobenzene-6-id-1-yl)quinoline
CID 155625058
benzene;2-[3-methyl-4-(3-methyl-6-phenyl-2-quinolin-2-yl-4-pyridinyl)-6-phenyl-2-pyridinyl]quinoline;bis(platinum(2+))
CID 23528042
CID 59340238
CID 59340238
chloronickel;2,6-di(phenyl)pyridine
CID 153499161
iridium;tris(2-phenylpyridine)
CID 23386734

Frequently Asked Questions

What is the IUPAC name of carbanide;iridium;2-phenylquinoline;yttrium?
The IUPAC name of carbanide;iridium;2-phenylquinoline;yttrium (CID 59824492) is carbanide;iridium;2-phenylquinoline;yttrium.
What is the SMILES notation for carbanide;iridium;2-phenylquinoline;yttrium?
The canonical SMILES for carbanide;iridium;2-phenylquinoline;yttrium is [CH3-].[Ir].[Y].[c-]1ccccc1-c1ccc2ccccc2n1.
What is the InChIKey of carbanide;iridium;2-phenylquinoline;yttrium?
The InChIKey is KXIMHENYHBSBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N.CH3.Ir.Y/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;;;/h1-6,8-11H;1H3;;/q2*-1;;.
What are the key properties of carbanide;iridium;2-phenylquinoline;yttrium?
carbanide;iridium;2-phenylquinoline;yttrium has a molecular weight of 500.41 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;iridium;2-phenylquinoline;yttrium is sourced from PubChem (CID 59824492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).