iridium;2-phenyl-4-propan-2-ylpyridine;2-pyridin-2-ylphenol

C25H23IrN2O- — CID 168799288

IUPACiridium;2-phenyl-4-propan-2-ylpyridine;2-pyridin-2-ylphenol
SMILESCC(C)c1ccnc(-c2[c-]cccc2)c1.Oc1ccccc1-c1ccccn1.[Ir]
InChIInChI=1S/C14H14N.C11H9NO.Ir/c1-11(2)13-8-9-15-14(10-13)12-6-4-3-5-7-12;13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;/h3-6,8-11H,1-2H3;1-8,13H;/q-1;;
InChIKeyMCKRVNIOIUPGDP-UHFFFAOYSA-N
MW559.69 g/mol
LogP6.12
Rot. Bonds3

About iridium;2-phenyl-4-propan-2-ylpyridine;2-pyridin-2-ylphenol

iridium;2-phenyl-4-propan-2-ylpyridine;2-pyridin-2-ylphenol (PubChem CID 168799288) has the molecular formula C25H23IrN2O- and a molecular weight of 559.69 g/mol. Its IUPAC name is iridium;2-phenyl-4-propan-2-ylpyridine;2-pyridin-2-ylphenol.

Molecular Properties

Compound Nameiridium;2-phenyl-4-propan-2-ylpyridine;2-pyridin-2-ylphenol
PubChem CID168799288
Molecular FormulaC25H23IrN2O-
Molecular Weight559.69 g/mol
Exact Mass560.14
IUPAC Nameiridium;2-phenyl-4-propan-2-ylpyridine;2-pyridin-2-ylphenol
SMILESCC(C)c1ccnc(-c2[c-]cccc2)c1.Oc1ccccc1-c1ccccn1.[Ir]
InChIInChI=1S/C14H14N.C11H9NO.Ir/c1-11(2)13-8-9-15-14(10-13)12-6-4-3-5-7-12;13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;/h3-6,8-11H,1-2H3;1-8,13H;/q-1;;
InChIKeyMCKRVNIOIUPGDP-UHFFFAOYSA-N
XLogP6.12
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.69
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

iridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-phenyl-4-propan-2-ylpyridine
CID 164797671
iridium;2-(9-methyl-10-propan-2-yl-3H-phenanthren-3-id-2-yl)-4-propan-2-ylpyridine;2-phenylpyridine
CID 164792210
2-[4-(1-deuterio-1-phenylethyl)benzene-6-id-1-yl]pyridine;4-(2-deuteriopropan-2-yl)-2-phenylpyridine;iridium
CID 162710417
iridium;tris(2-phenylpyridine)
CID 23386734
iridium;2-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine;2-[6-phenyl-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenol
CID 171438625
iridium;2-phenyl-4-propan-2-ylpyridine;trimethyl-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane
CID 155608304
iridium;trimethyl-(2-phenyl-4-pyridinyl)phosphanium
CID 59782046
iridium;2-phenylpyridine;4-propan-2-yl-2-(6,7,8,9-tetrahydro-3H-dibenzothiophen-3-id-4-yl)pyridine
CID 170518880
2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;2-dibenzofuran-4-yl-4-propan-2-ylpyridine;tetrakis(4,5-dimethyl-2-phenylpyridine);iridium;iridium(3+);methanol
CID 159538148
2,4-diphenylpyridine;iridium;iridium(3+);methanol;4-phenyl-2-phenylpyridine;tris(2-phenyl-5-propan-2-ylpyridine)
CID 160553096
2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;2-dibenzofuran-4-yl-4-propan-2-ylpyridine;tetrakis(4-ethyl-2-phenylpyridine);bis(iridium(3+));methanol
CID 161105608
2-[9,10-bis(trideuteriomethyl)-3H-phenanthren-3-id-2-yl]-4-(2-deuteriopropan-2-yl)pyridine;iridium;2-phenylpyridine
CID 164792174

Frequently Asked Questions

What is the IUPAC name of iridium;2-phenyl-4-propan-2-ylpyridine;2-pyridin-2-ylphenol?
The IUPAC name of iridium;2-phenyl-4-propan-2-ylpyridine;2-pyridin-2-ylphenol (CID 168799288) is iridium;2-phenyl-4-propan-2-ylpyridine;2-pyridin-2-ylphenol.
What is the SMILES notation for iridium;2-phenyl-4-propan-2-ylpyridine;2-pyridin-2-ylphenol?
The canonical SMILES for iridium;2-phenyl-4-propan-2-ylpyridine;2-pyridin-2-ylphenol is CC(C)c1ccnc(-c2[c-]cccc2)c1.Oc1ccccc1-c1ccccn1.[Ir].
What is the InChIKey of iridium;2-phenyl-4-propan-2-ylpyridine;2-pyridin-2-ylphenol?
The InChIKey is MCKRVNIOIUPGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N.C11H9NO.Ir/c1-11(2)13-8-9-15-14(10-13)12-6-4-3-5-7-12;13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;/h3-6,8-11H,1-2H3;1-8,13H;/q-1;;.
What are the key properties of iridium;2-phenyl-4-propan-2-ylpyridine;2-pyridin-2-ylphenol?
iridium;2-phenyl-4-propan-2-ylpyridine;2-pyridin-2-ylphenol has a molecular weight of 559.69 g/mol, XLogP of 6.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-phenyl-4-propan-2-ylpyridine;2-pyridin-2-ylphenol is sourced from PubChem (CID 168799288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).