iridium;pent-2-ene-2,4-diol;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine

C27H24IrN2O4-2 — CID 146899920

IUPACiridium;pent-2-ene-2,4-diol;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine
SMILESCC(O)=CC(C)O.[Ir].[c-]1c(Oc2[c-]c(-c3ccccn3)ccc2)cccc1Oc1ccccn1
InChIInChI=1S/C22H14N2O2.C5H10O2.Ir/c1-3-13-23-21(11-1)17-7-5-8-18(15-17)25-19-9-6-10-20(16-19)26-22-12-2-4-14-24-22;1-4(6)3-5(2)7;/h1-14H;3-4,6-7H,1-2H3;/q-2;;
InChIKeyCLOFDEZJMCKGAO-UHFFFAOYSA-N
MW632.72 g/mol
LogP6.16
Rot. Bonds6

About iridium;pent-2-ene-2,4-diol;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine

iridium;pent-2-ene-2,4-diol;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine (PubChem CID 146899920) has the molecular formula C27H24IrN2O4-2 and a molecular weight of 632.72 g/mol. Its IUPAC name is iridium;pent-2-ene-2,4-diol;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine.

Molecular Properties

Compound Nameiridium;pent-2-ene-2,4-diol;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine
PubChem CID146899920
Molecular FormulaC27H24IrN2O4-2
Molecular Weight632.72 g/mol
Exact Mass633.14
IUPAC Nameiridium;pent-2-ene-2,4-diol;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine
SMILESCC(O)=CC(C)O.[Ir].[c-]1c(Oc2[c-]c(-c3ccccn3)ccc2)cccc1Oc1ccccn1
InChIInChI=1S/C22H14N2O2.C5H10O2.Ir/c1-3-13-23-21(11-1)17-7-5-8-18(15-17)25-19-9-6-10-20(16-19)26-22-12-2-4-14-24-22;1-4(6)3-5(2)7;/h1-14H;3-4,6-7H,1-2H3;/q-2;;
InChIKeyCLOFDEZJMCKGAO-UHFFFAOYSA-N
XLogP6.16
TPSA84.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.72
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;iridium;tetrakis(iridium(3+));methane;2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;2-(5-methylpyrazol-2-id-3-yl)-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine;pent-2-ene-2,4-diol;tetrakis(2-phenylpyridine);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine;2-[3-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine
CID 162270716
iridium(3+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy-6-[3-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine
CID 140597838
iridium;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]pyridine;2-pyridin-2-ylpyridine
CID 171470504
2-[3-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+)
CID 162451616
2-[4-(2-phenylpropan-2-yl)-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum
CID 164742231
4-tert-butyl-2-[3-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]pyridine;platinum(2+)
CID 153429120
platinum;2-[6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol
CID 153304161
iridium(3+);2-(5-methylpyrazol-2-id-3-yl)-6-[3-[[6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy-2-pyridinyl]oxy]benzene-2-id-1-yl]oxypyridine
CID 140597831
anisole;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
CID 157414617
ethanone;palladium;palladium(2+);2-[3-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine;2-[3-(3-pyridin-2-yloxyphenoxy)phenoxy]pyridine
CID 159087570
4-methyl-2-[3-(4-methyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+)
CID 162451623
platinum(2+);6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine-2-carbothioate
CID 58709124

Frequently Asked Questions

What is the IUPAC name of iridium;pent-2-ene-2,4-diol;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine?
The IUPAC name of iridium;pent-2-ene-2,4-diol;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine (CID 146899920) is iridium;pent-2-ene-2,4-diol;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine.
What is the SMILES notation for iridium;pent-2-ene-2,4-diol;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine?
The canonical SMILES for iridium;pent-2-ene-2,4-diol;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine is CC(O)=CC(C)O.[Ir].[c-]1c(Oc2[c-]c(-c3ccccn3)ccc2)cccc1Oc1ccccn1.
What is the InChIKey of iridium;pent-2-ene-2,4-diol;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine?
The InChIKey is CLOFDEZJMCKGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O2.C5H10O2.Ir/c1-3-13-23-21(11-1)17-7-5-8-18(15-17)25-19-9-6-10-20(16-19)26-22-12-2-4-14-24-22;1-4(6)3-5(2)7;/h1-14H;3-4,6-7H,1-2H3;/q-2;;.
What are the key properties of iridium;pent-2-ene-2,4-diol;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine?
iridium;pent-2-ene-2,4-diol;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine has a molecular weight of 632.72 g/mol, XLogP of 6.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;pent-2-ene-2,4-diol;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine is sourced from PubChem (CID 146899920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).