iridium(3+);tris(3-pyridin-2-ylphenol)

C33H27IrN3O3+3 — CID 22939729

IUPACiridium(3+);tris(3-pyridin-2-ylphenol)
SMILESOc1cccc(-c2ccccn2)c1.Oc1cccc(-c2ccccn2)c1.Oc1cccc(-c2ccccn2)c1.[Ir+3]
InChIInChI=1S/3C11H9NO.Ir/c3*13-10-5-3-4-9(8-10)11-6-1-2-7-12-11;/h3*1-8,13H;/q;;;+3
InChIKeyRZVAFGAPAQXVDV-UHFFFAOYSA-N
MW705.81 g/mol
LogP7.36
Rot. Bonds3

About iridium(3+);tris(3-pyridin-2-ylphenol)

iridium(3+);tris(3-pyridin-2-ylphenol) (PubChem CID 22939729) has the molecular formula C33H27IrN3O3+3 and a molecular weight of 705.81 g/mol. Its IUPAC name is iridium(3+);tris(3-pyridin-2-ylphenol).

Molecular Properties

Compound Nameiridium(3+);tris(3-pyridin-2-ylphenol)
PubChem CID22939729
Molecular FormulaC33H27IrN3O3+3
Molecular Weight705.81 g/mol
Exact Mass706.17
IUPAC Nameiridium(3+);tris(3-pyridin-2-ylphenol)
SMILESOc1cccc(-c2ccccn2)c1.Oc1cccc(-c2ccccn2)c1.Oc1cccc(-c2ccccn2)c1.[Ir+3]
InChIInChI=1S/3C11H9NO.Ir/c3*13-10-5-3-4-9(8-10)11-6-1-2-7-12-11;/h3*1-8,13H;/q;;;+3
InChIKeyRZVAFGAPAQXVDV-UHFFFAOYSA-N
XLogP7.36
TPSA99.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.81
LogP ≤ 57.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
Tris-(8-hydroxyquinoline)aluminum
CID 16683111
Indium In-111 Oxyquinoline
CID 119117
3-[5-(3-Hydroxyphenyl)pyridin-2-yl]phenol
CID 25093398
3-[5-(3-Hydroxyphenyl)pyrazin-2-yl]phenol
CID 25093399
4''-(1-(Pyridin-4-yl)propyl)biphenyl-3-ol
CID 46854448
4''-(2-Methyl-1-(pyridin-4-yl)propyl)biphenyl-3-ol
CID 46854449
4''-(Pyridin-4-ylmethyl)biphenyl-3-ol
CID 46901446
Tris(8-hydroxyquinolinato)gallium
CID 9806063
Indium oxine
CID 3034762
16,16-Diphenyl-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9(14),10,12-hexaen-10-ol chloride
CID 15281331
3-[(7R,8R,9aR)-7,8-dimethyl-2-(quinolin-4-ylmethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol
CID 16094382

Frequently Asked Questions

What is the IUPAC name of iridium(3+);tris(3-pyridin-2-ylphenol)?
The IUPAC name of iridium(3+);tris(3-pyridin-2-ylphenol) (CID 22939729) is iridium(3+);tris(3-pyridin-2-ylphenol).
What is the SMILES notation for iridium(3+);tris(3-pyridin-2-ylphenol)?
The canonical SMILES for iridium(3+);tris(3-pyridin-2-ylphenol) is Oc1cccc(-c2ccccn2)c1.Oc1cccc(-c2ccccn2)c1.Oc1cccc(-c2ccccn2)c1.[Ir+3].
What is the InChIKey of iridium(3+);tris(3-pyridin-2-ylphenol)?
The InChIKey is RZVAFGAPAQXVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H9NO.Ir/c3*13-10-5-3-4-9(8-10)11-6-1-2-7-12-11;/h3*1-8,13H;/q;;;+3.
What are the key properties of iridium(3+);tris(3-pyridin-2-ylphenol)?
iridium(3+);tris(3-pyridin-2-ylphenol) has a molecular weight of 705.81 g/mol, XLogP of 7.36, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for iridium(3+);tris(3-pyridin-2-ylphenol) is sourced from PubChem (CID 22939729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).