iridium;4-phenyl-3,5-dihydro-1H-isochromeno[4,3-b]quinoline-1,3-diide;3-phenylisoquinoline;yttrium

C37H22IrN2OY-4 — CID 153447088

IUPACiridium;4-phenyl-3,5-dihydro-1H-isochromeno[4,3-b]quinoline-1,3-diide;3-phenylisoquinoline;yttrium
SMILES[Ir].[Y].[c-]1ccccc1-c1[c-]c[c-]c2c1COc1cc3ccccc3nc1-2.[c-]1ccccc1-c1cc2ccccc2cn1
InChIInChI=1S/C22H12NO.C15H10N.Ir.Y/c1-2-7-15(8-3-1)17-10-6-11-18-19(17)14-24-21-13-16-9-4-5-12-20(16)23-22(18)21;1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15;;/h1-7,9,12-13H,14H2;1-6,8-11H;;/q-3;-1;;
InChIKeyJHPOVZQRHQPXAD-UHFFFAOYSA-N
MW791.72 g/mol
LogP8.56
Rot. Bonds2

About iridium;4-phenyl-3,5-dihydro-1H-isochromeno[4,3-b]quinoline-1,3-diide;3-phenylisoquinoline;yttrium

iridium;4-phenyl-3,5-dihydro-1H-isochromeno[4,3-b]quinoline-1,3-diide;3-phenylisoquinoline;yttrium (PubChem CID 153447088) has the molecular formula C37H22IrN2OY-4 and a molecular weight of 791.72 g/mol. Its IUPAC name is iridium;4-phenyl-3,5-dihydro-1H-isochromeno[4,3-b]quinoline-1,3-diide;3-phenylisoquinoline;yttrium.

Molecular Properties

Compound Nameiridium;4-phenyl-3,5-dihydro-1H-isochromeno[4,3-b]quinoline-1,3-diide;3-phenylisoquinoline;yttrium
PubChem CID153447088
Molecular FormulaC37H22IrN2OY-4
Molecular Weight791.72 g/mol
Exact Mass792.04
IUPAC Nameiridium;4-phenyl-3,5-dihydro-1H-isochromeno[4,3-b]quinoline-1,3-diide;3-phenylisoquinoline;yttrium
SMILES[Ir].[Y].[c-]1ccccc1-c1[c-]c[c-]c2c1COc1cc3ccccc3nc1-2.[c-]1ccccc1-c1cc2ccccc2cn1
InChIInChI=1S/C22H12NO.C15H10N.Ir.Y/c1-2-7-15(8-3-1)17-10-6-11-18-19(17)14-24-21-13-16-9-4-5-12-20(16)23-22(18)21;1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15;;/h1-7,9,12-13H,14H2;1-6,8-11H;;/q-3;-1;;
InChIKeyJHPOVZQRHQPXAD-UHFFFAOYSA-N
XLogP8.56
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.72
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze iridium;4-phenyl-3,5-dihydro-1H-isochromeno[4,3-b]quinoline-1,3-diide;3-phenylisoquinoline;yttrium with MolForge

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Related Compounds

(Z)-4-hydroxypent-3-en-2-one;iridium;7-phenyl-8,10-dihydro-6H-isochromeno[4,3-b]pyridine-8,10-diide;yttrium
CID 153447070
tetrakis(2,4-dimethyl-8-(2-methylpropyl)-1,5-dihydroisochromeno[4,3-b]quinolin-1-ide);tetrakis(iridium);1-phenylisoquinoline;3-phenylisoquinoline;2-phenylquinoline;2-pyridin-2-ylindol-1-ide
CID 159708302
iridium;3-(3-methylbenzene-6-id-1-yl)isoquinoline;2-phenylpyridine
CID 155620539
(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;3-phenylisoquinoline
CID 58239785
iridium(3+);2-methanidyloxypropane;3-phenylisoquinoline
CID 155610283
iridium;3-phenyl-6,10-dihydro-2H-isochromeno[4,3-b]pyridine-2,10-diide;yttrium
CID 153447045
6,10-dihydroisochromeno[4,3-c]isoquinolin-10-ide;iridium;2-phenylpyridine
CID 153447014
carbanide;iridium;2-phenylquinoline;yttrium
CID 59824492
iridium;8-(2-methylpropyl)-1,5-dihydroisochromeno[4,3-b]quinolin-1-ide;1-phenylisoquinoline
CID 153446971
6,10-dihydroisochromeno[4,3-b]pyridin-10-ide;iridium;1-phenylisoquinoline
CID 153446953
3-[3-(4,6-difluoro-1,3,5-triazin-2-yl)benzene-6-id-1-yl]isoquinoline;iridium
CID 140786199
iridium;8-phenyl-7,10-dihydro-6H-isochromeno[4,3-b]pyridine-7,10-diide;yttrium
CID 153447007

Frequently Asked Questions

What is the IUPAC name of iridium;4-phenyl-3,5-dihydro-1H-isochromeno[4,3-b]quinoline-1,3-diide;3-phenylisoquinoline;yttrium?
The IUPAC name of iridium;4-phenyl-3,5-dihydro-1H-isochromeno[4,3-b]quinoline-1,3-diide;3-phenylisoquinoline;yttrium (CID 153447088) is iridium;4-phenyl-3,5-dihydro-1H-isochromeno[4,3-b]quinoline-1,3-diide;3-phenylisoquinoline;yttrium.
What is the SMILES notation for iridium;4-phenyl-3,5-dihydro-1H-isochromeno[4,3-b]quinoline-1,3-diide;3-phenylisoquinoline;yttrium?
The canonical SMILES for iridium;4-phenyl-3,5-dihydro-1H-isochromeno[4,3-b]quinoline-1,3-diide;3-phenylisoquinoline;yttrium is [Ir].[Y].[c-]1ccccc1-c1[c-]c[c-]c2c1COc1cc3ccccc3nc1-2.[c-]1ccccc1-c1cc2ccccc2cn1.
What is the InChIKey of iridium;4-phenyl-3,5-dihydro-1H-isochromeno[4,3-b]quinoline-1,3-diide;3-phenylisoquinoline;yttrium?
The InChIKey is JHPOVZQRHQPXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12NO.C15H10N.Ir.Y/c1-2-7-15(8-3-1)17-10-6-11-18-19(17)14-24-21-13-16-9-4-5-12-20(16)23-22(18)21;1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15;;/h1-7,9,12-13H,14H2;1-6,8-11H;;/q-3;-1;;.
What are the key properties of iridium;4-phenyl-3,5-dihydro-1H-isochromeno[4,3-b]quinoline-1,3-diide;3-phenylisoquinoline;yttrium?
iridium;4-phenyl-3,5-dihydro-1H-isochromeno[4,3-b]quinoline-1,3-diide;3-phenylisoquinoline;yttrium has a molecular weight of 791.72 g/mol, XLogP of 8.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;4-phenyl-3,5-dihydro-1H-isochromeno[4,3-b]quinoline-1,3-diide;3-phenylisoquinoline;yttrium is sourced from PubChem (CID 153447088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).