iridium;8-phenyl-7,10-dihydro-6H-isochromeno[4,3-b]pyridine-7,10-diide;yttrium

C18H10IrNOY-3 — CID 153447007

IUPACiridium;8-phenyl-7,10-dihydro-6H-isochromeno[4,3-b]pyridine-7,10-diide;yttrium
SMILES[Ir].[Y].[c-]1ccccc1-c1[c-]c2c([c-]c1)-c1ncccc1OC2
InChIInChI=1S/C18H10NO.Ir.Y/c1-2-5-13(6-3-1)14-8-9-16-15(11-14)12-20-17-7-4-10-19-18(16)17;;/h1-5,7-8,10H,12H2;;/q-3;;
InChIKeyDCMBXQLYMJFICT-UHFFFAOYSA-N
MW537.41 g/mol
LogP3.70
Rot. Bonds1

About iridium;8-phenyl-7,10-dihydro-6H-isochromeno[4,3-b]pyridine-7,10-diide;yttrium

iridium;8-phenyl-7,10-dihydro-6H-isochromeno[4,3-b]pyridine-7,10-diide;yttrium (PubChem CID 153447007) has the molecular formula C18H10IrNOY-3 and a molecular weight of 537.41 g/mol. Its IUPAC name is iridium;8-phenyl-7,10-dihydro-6H-isochromeno[4,3-b]pyridine-7,10-diide;yttrium.

Molecular Properties

Compound Nameiridium;8-phenyl-7,10-dihydro-6H-isochromeno[4,3-b]pyridine-7,10-diide;yttrium
PubChem CID153447007
Molecular FormulaC18H10IrNOY-3
Molecular Weight537.41 g/mol
Exact Mass537.95
IUPAC Nameiridium;8-phenyl-7,10-dihydro-6H-isochromeno[4,3-b]pyridine-7,10-diide;yttrium
SMILES[Ir].[Y].[c-]1ccccc1-c1[c-]c2c([c-]c1)-c1ncccc1OC2
InChIInChI=1S/C18H10NO.Ir.Y/c1-2-5-13(6-3-1)14-8-9-16-15(11-14)12-20-17-7-4-10-19-18(16)17;;/h1-5,7-8,10H,12H2;;/q-3;;
InChIKeyDCMBXQLYMJFICT-UHFFFAOYSA-N
XLogP3.70
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.41
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6,10-dihydroisochromeno[4,3-b]pyridin-10-ide;iridium;1-phenylisoquinoline
CID 153446953
(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
iridium;3-phenyl-6,10-dihydro-2H-isochromeno[4,3-b]pyridine-2,10-diide;yttrium
CID 153447045
1-phenyl-4-[4-[4-(4-phenylbenzene-3,6-diid-1-yl)benzene-3,6-diid-1-yl]benzene-3,6-diid-1-yl]benzene-3,6-diide;pentakis(yttrium)
CID 153293138
iridium;phenylbenzene
CID 58599975
CID 140800370
CID 140800370
iridium;tris(2-phenylpyridine)
CID 23386734
ethane;phenylbenzene;yttrium
CID 161119758
palladium(2+);phenylbenzene
CID 58471959
6,10-dihydroisochromeno[4,3-c]isoquinolin-10-ide;iridium;2-phenylpyridine
CID 153447014
(Z)-4-hydroxypent-3-en-2-one;iridium;3-phenyl-6,10-dihydro-4H-isochromeno[4,3-b]pyridine-4,10-diide;yttrium
CID 153446994
iridium;4-phenyl-3,5-dihydro-1H-isochromeno[4,3-b]quinoline-1,3-diide;3-phenylisoquinoline;yttrium
CID 153447088

Frequently Asked Questions

What is the IUPAC name of iridium;8-phenyl-7,10-dihydro-6H-isochromeno[4,3-b]pyridine-7,10-diide;yttrium?
The IUPAC name of iridium;8-phenyl-7,10-dihydro-6H-isochromeno[4,3-b]pyridine-7,10-diide;yttrium (CID 153447007) is iridium;8-phenyl-7,10-dihydro-6H-isochromeno[4,3-b]pyridine-7,10-diide;yttrium.
What is the SMILES notation for iridium;8-phenyl-7,10-dihydro-6H-isochromeno[4,3-b]pyridine-7,10-diide;yttrium?
The canonical SMILES for iridium;8-phenyl-7,10-dihydro-6H-isochromeno[4,3-b]pyridine-7,10-diide;yttrium is [Ir].[Y].[c-]1ccccc1-c1[c-]c2c([c-]c1)-c1ncccc1OC2.
What is the InChIKey of iridium;8-phenyl-7,10-dihydro-6H-isochromeno[4,3-b]pyridine-7,10-diide;yttrium?
The InChIKey is DCMBXQLYMJFICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10NO.Ir.Y/c1-2-5-13(6-3-1)14-8-9-16-15(11-14)12-20-17-7-4-10-19-18(16)17;;/h1-5,7-8,10H,12H2;;/q-3;;.
What are the key properties of iridium;8-phenyl-7,10-dihydro-6H-isochromeno[4,3-b]pyridine-7,10-diide;yttrium?
iridium;8-phenyl-7,10-dihydro-6H-isochromeno[4,3-b]pyridine-7,10-diide;yttrium has a molecular weight of 537.41 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;8-phenyl-7,10-dihydro-6H-isochromeno[4,3-b]pyridine-7,10-diide;yttrium is sourced from PubChem (CID 153447007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).