(Z)-4-hydroxypent-3-en-2-one;iridium;3-phenyl-6,10-dihydro-4H-isochromeno[4,3-b]pyridine-4,10-diide;yttrium

C23H18IrNO3Y-3 — CID 153446994

IUPAC(Z)-4-hydroxypent-3-en-2-one;iridium;3-phenyl-6,10-dihydro-4H-isochromeno[4,3-b]pyridine-4,10-diide;yttrium
SMILESCC(=O)/C=C(/C)O.[Ir].[Y].[c-]1ccccc1-c1[c-]c2c(nc1)-c1[c-]cccc1CO2
InChIInChI=1S/C18H10NO.C5H8O2.Ir.Y/c1-2-6-13(7-3-1)15-10-17-18(19-11-15)16-9-5-4-8-14(16)12-20-17;1-4(6)3-5(2)7;;/h1-6,8,11H,12H2;3,6H,1-2H3;;/q-3;;;/b;4-3-;;
InChIKeyPZOIAUHFNKVJSS-MECAPONASA-N
MW637.52 g/mol
LogP4.74
Rot. Bonds2

About (Z)-4-hydroxypent-3-en-2-one;iridium;3-phenyl-6,10-dihydro-4H-isochromeno[4,3-b]pyridine-4,10-diide;yttrium

(Z)-4-hydroxypent-3-en-2-one;iridium;3-phenyl-6,10-dihydro-4H-isochromeno[4,3-b]pyridine-4,10-diide;yttrium (PubChem CID 153446994) has the molecular formula C23H18IrNO3Y-3 and a molecular weight of 637.52 g/mol. Its IUPAC name is (Z)-4-hydroxypent-3-en-2-one;iridium;3-phenyl-6,10-dihydro-4H-isochromeno[4,3-b]pyridine-4,10-diide;yttrium.

Molecular Properties

Compound Name(Z)-4-hydroxypent-3-en-2-one;iridium;3-phenyl-6,10-dihydro-4H-isochromeno[4,3-b]pyridine-4,10-diide;yttrium
PubChem CID153446994
Molecular FormulaC23H18IrNO3Y-3
Molecular Weight637.52 g/mol
Exact Mass638.00
IUPAC Name(Z)-4-hydroxypent-3-en-2-one;iridium;3-phenyl-6,10-dihydro-4H-isochromeno[4,3-b]pyridine-4,10-diide;yttrium
SMILESCC(=O)/C=C(/C)O.[Ir].[Y].[c-]1ccccc1-c1[c-]c2c(nc1)-c1[c-]cccc1CO2
InChIInChI=1S/C18H10NO.C5H8O2.Ir.Y/c1-2-6-13(7-3-1)15-10-17-18(19-11-15)16-9-5-4-8-14(16)12-20-17;1-4(6)3-5(2)7;;/h1-6,8,11H,12H2;3,6H,1-2H3;;/q-3;;;/b;4-3-;;
InChIKeyPZOIAUHFNKVJSS-MECAPONASA-N
XLogP4.74
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500637.52
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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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
4-hydroxypent-3-en-2-one;phenylbenzene;platinum(2+)
CID 158441264
(Z)-4-hydroxypent-3-en-2-one;2-phenylpyridine;rhodium
CID 58099744
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
(Z)-4-hydroxypent-3-en-2-one;iridium;4-phenylbenzo[f]isoquinoline
CID 59470234
(Z)-4-hydroxypent-3-en-2-one;iridium;12-phenyl-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one
CID 154625632
(Z)-4-hydroxypent-3-en-2-one;iridium;5,5,6,6-tetramethyl-15-phenyl-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene
CID 170679206
pentakis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);4-hydroxypent-3-en-2-one;iridium;bis(iridium(3+));2-phenylpyridine;tris(2-phenylpyridine)
CID 158606000
4-hydroxypent-3-en-2-one;pentakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;tetrakis(2-(3-methylbenzene-6-id-1-yl)pyridine);tris(4-methyl-5-phenyl-2-phenylpyridine)
CID 161433319
4-hydroxypent-3-en-2-one;iridium;2-phenylpyrido[3,4-h]quinazoline
CID 161338404
(Z)-4-hydroxypent-3-en-2-one;iridium;4,4,5,5-tetramethyl-13-phenyl-11-oxa-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene
CID 170678710

Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxypent-3-en-2-one;iridium;3-phenyl-6,10-dihydro-4H-isochromeno[4,3-b]pyridine-4,10-diide;yttrium?
The IUPAC name of (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) is (Z)-4-hydroxypent-3-en-2-one;iridium;3-phenyl-6,10-dihydro-4H-isochromeno[4,3-b]pyridine-4,10-diide;yttrium.
What is the SMILES notation for (Z)-4-hydroxypent-3-en-2-one;iridium;3-phenyl-6,10-dihydro-4H-isochromeno[4,3-b]pyridine-4,10-diide;yttrium?
The canonical SMILES for (Z)-4-hydroxypent-3-en-2-one;iridium;3-phenyl-6,10-dihydro-4H-isochromeno[4,3-b]pyridine-4,10-diide;yttrium is CC(=O)/C=C(/C)O.[Ir].[Y].[c-]1ccccc1-c1[c-]c2c(nc1)-c1[c-]cccc1CO2.
What is the InChIKey of (Z)-4-hydroxypent-3-en-2-one;iridium;3-phenyl-6,10-dihydro-4H-isochromeno[4,3-b]pyridine-4,10-diide;yttrium?
The InChIKey is PZOIAUHFNKVJSS-MECAPONASA-N. The full InChI is InChI=1S/C18H10NO.C5H8O2.Ir.Y/c1-2-6-13(7-3-1)15-10-17-18(19-11-15)16-9-5-4-8-14(16)12-20-17;1-4(6)3-5(2)7;;/h1-6,8,11H,12H2;3,6H,1-2H3;;/q-3;;;/b;4-3-;;.
What are the key properties of (Z)-4-hydroxypent-3-en-2-one;iridium;3-phenyl-6,10-dihydro-4H-isochromeno[4,3-b]pyridine-4,10-diide;yttrium?
(Z)-4-hydroxypent-3-en-2-one;iridium;3-phenyl-6,10-dihydro-4H-isochromeno[4,3-b]pyridine-4,10-diide;yttrium has a molecular weight of 637.52 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxypent-3-en-2-one;iridium;3-phenyl-6,10-dihydro-4H-isochromeno[4,3-b]pyridine-4,10-diide;yttrium is sourced from PubChem (CID 153446994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).