iridium;4-phenyl-6,10-dihydro-3H-isochromeno[4,3-b]pyridine-3,10-diide;2-pyridin-2-ylindol-1-ide;yttrium

C31H19IrN3OY-4 — CID 153447085

IUPACiridium;4-phenyl-6,10-dihydro-3H-isochromeno[4,3-b]pyridine-3,10-diide;2-pyridin-2-ylindol-1-ide;yttrium
SMILES[Ir].[Y].[c-]1ccccc1-c1[c-]cnc2c1OCc1ccc[c-]c1-2.c1ccc(-c2cc3ccccc3[n-]2)nc1
InChIInChI=1S/C18H10NO.C13H9N2.Ir.Y/c1-2-6-13(7-3-1)16-10-11-19-17-15-9-5-4-8-14(15)12-20-18(16)17;1-2-6-11-10(5-1)9-13(15-11)12-7-3-4-8-14-12;;/h1-6,8,11H,12H2;1-9H;;/q-3;-1;;
InChIKeyPZPSWAHKZYOCSU-UHFFFAOYSA-N
MW730.64 g/mol
LogP6.56
Rot. Bonds2

About iridium;4-phenyl-6,10-dihydro-3H-isochromeno[4,3-b]pyridine-3,10-diide;2-pyridin-2-ylindol-1-ide;yttrium

iridium;4-phenyl-6,10-dihydro-3H-isochromeno[4,3-b]pyridine-3,10-diide;2-pyridin-2-ylindol-1-ide;yttrium (PubChem CID 153447085) has the molecular formula C31H19IrN3OY-4 and a molecular weight of 730.64 g/mol. Its IUPAC name is iridium;4-phenyl-6,10-dihydro-3H-isochromeno[4,3-b]pyridine-3,10-diide;2-pyridin-2-ylindol-1-ide;yttrium.

Molecular Properties

Compound Nameiridium;4-phenyl-6,10-dihydro-3H-isochromeno[4,3-b]pyridine-3,10-diide;2-pyridin-2-ylindol-1-ide;yttrium
PubChem CID153447085
Molecular FormulaC31H19IrN3OY-4
Molecular Weight730.64 g/mol
Exact Mass731.02
IUPAC Nameiridium;4-phenyl-6,10-dihydro-3H-isochromeno[4,3-b]pyridine-3,10-diide;2-pyridin-2-ylindol-1-ide;yttrium
SMILES[Ir].[Y].[c-]1ccccc1-c1[c-]cnc2c1OCc1ccc[c-]c1-2.c1ccc(-c2cc3ccccc3[n-]2)nc1
InChIInChI=1S/C18H10NO.C13H9N2.Ir.Y/c1-2-6-13(7-3-1)16-10-11-19-17-15-9-5-4-8-14(15)12-20-18(16)17;1-2-6-11-10(5-1)9-13(15-11)12-7-3-4-8-14-12;;/h1-6,8,11H,12H2;1-9H;;/q-3;-1;;
InChIKeyPZPSWAHKZYOCSU-UHFFFAOYSA-N
XLogP6.56
TPSA49.11 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.64
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,10-dihydroisochromeno[4,3-c]isoquinolin-10-ide;iridium;2-phenylpyridine
CID 153447014
iridium;3-phenyl-6,10-dihydro-2H-isochromeno[4,3-b]pyridine-2,10-diide;yttrium
CID 153447045
6,10-dihydroisochromeno[4,3-b]pyridin-10-ide;iridium;1-phenylisoquinoline
CID 153446953
iridium;tris(2-phenylpyridine)
CID 23386734
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;1-methyl-2-phenylbenzene-3-ide;bis(2-phenylpyridine)
CID 168726074
iridium(3+);bis(2-phenylpyridine);2-pyridin-2-ylbenzimidazol-1-ide
CID 59010560
2-phenylpyridine;platinum(2+);2-pyridin-2-ylbenzimidazol-1-ide
CID 20807166
bis(2-phenylpyridine);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide)
CID 176621886
bis(chloroiridium(2+));tetrakis(2-phenylpyridine)
CID 54724512
2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;iridium;2-phenylpyridine
CID 59800441
CID 165170222
CID 165170222

Frequently Asked Questions

What is the IUPAC name of iridium;4-phenyl-6,10-dihydro-3H-isochromeno[4,3-b]pyridine-3,10-diide;2-pyridin-2-ylindol-1-ide;yttrium?
The IUPAC name of iridium;4-phenyl-6,10-dihydro-3H-isochromeno[4,3-b]pyridine-3,10-diide;2-pyridin-2-ylindol-1-ide;yttrium (CID 153447085) is iridium;4-phenyl-6,10-dihydro-3H-isochromeno[4,3-b]pyridine-3,10-diide;2-pyridin-2-ylindol-1-ide;yttrium.
What is the SMILES notation for iridium;4-phenyl-6,10-dihydro-3H-isochromeno[4,3-b]pyridine-3,10-diide;2-pyridin-2-ylindol-1-ide;yttrium?
The canonical SMILES for iridium;4-phenyl-6,10-dihydro-3H-isochromeno[4,3-b]pyridine-3,10-diide;2-pyridin-2-ylindol-1-ide;yttrium is [Ir].[Y].[c-]1ccccc1-c1[c-]cnc2c1OCc1ccc[c-]c1-2.c1ccc(-c2cc3ccccc3[n-]2)nc1.
What is the InChIKey of iridium;4-phenyl-6,10-dihydro-3H-isochromeno[4,3-b]pyridine-3,10-diide;2-pyridin-2-ylindol-1-ide;yttrium?
The InChIKey is PZPSWAHKZYOCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10NO.C13H9N2.Ir.Y/c1-2-6-13(7-3-1)16-10-11-19-17-15-9-5-4-8-14(15)12-20-18(16)17;1-2-6-11-10(5-1)9-13(15-11)12-7-3-4-8-14-12;;/h1-6,8,11H,12H2;1-9H;;/q-3;-1;;.
What are the key properties of iridium;4-phenyl-6,10-dihydro-3H-isochromeno[4,3-b]pyridine-3,10-diide;2-pyridin-2-ylindol-1-ide;yttrium?
iridium;4-phenyl-6,10-dihydro-3H-isochromeno[4,3-b]pyridine-3,10-diide;2-pyridin-2-ylindol-1-ide;yttrium has a molecular weight of 730.64 g/mol, XLogP of 6.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;4-phenyl-6,10-dihydro-3H-isochromeno[4,3-b]pyridine-3,10-diide;2-pyridin-2-ylindol-1-ide;yttrium is sourced from PubChem (CID 153447085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).