iridium;2-(phenoxy)-6-[1-(6-phenyl-2-pyridinyl)ethyl]pyridine

C24H18IrN2O-2 — CID 58106963

IUPACiridium;2-(phenoxy)-6-[1-(6-phenyl-2-pyridinyl)ethyl]pyridine
SMILESCC(c1cccc(Oc2[c-]cccc2)n1)c1cccc(-c2[c-]cccc2)n1.[Ir]
InChIInChI=1S/C24H18N2O.Ir/c1-18(21-14-8-16-23(25-21)19-10-4-2-5-11-19)22-15-9-17-24(26-22)27-20-12-6-3-7-13-20;/h2-10,12,14-18H,1H3;/q-2;
InChIKeyBAODRUIHNCVKDE-UHFFFAOYSA-N
MW542.64 g/mol
LogP5.69
Rot. Bonds5

About iridium;2-(phenoxy)-6-[1-(6-phenyl-2-pyridinyl)ethyl]pyridine

iridium;2-(phenoxy)-6-[1-(6-phenyl-2-pyridinyl)ethyl]pyridine (PubChem CID 58106963) has the molecular formula C24H18IrN2O-2 and a molecular weight of 542.64 g/mol. Its IUPAC name is iridium;2-(phenoxy)-6-[1-(6-phenyl-2-pyridinyl)ethyl]pyridine.

Molecular Properties

Compound Nameiridium;2-(phenoxy)-6-[1-(6-phenyl-2-pyridinyl)ethyl]pyridine
PubChem CID58106963
Molecular FormulaC24H18IrN2O-2
Molecular Weight542.64 g/mol
Exact Mass543.11
IUPAC Nameiridium;2-(phenoxy)-6-[1-(6-phenyl-2-pyridinyl)ethyl]pyridine
SMILESCC(c1cccc(Oc2[c-]cccc2)n1)c1cccc(-c2[c-]cccc2)n1.[Ir]
InChIInChI=1S/C24H18N2O.Ir/c1-18(21-14-8-16-23(25-21)19-10-4-2-5-11-19)22-15-9-17-24(26-22)27-20-12-6-3-7-13-20;/h2-10,12,14-18H,1H3;/q-2;
InChIKeyBAODRUIHNCVKDE-UHFFFAOYSA-N
XLogP5.69
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.64
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-3-[6-[[6-[2-fluoro-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]oxy]-2-pyridinyl]-6-(trifluoromethyl)-4H-pyridin-4-ide;platinum(2+)
CID 57615570
CID 58620922
CID 58620922
spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]quinoline]
CID 10468139
3-(6-Ethoxy-2-pyridinyl)-1-azabicyclo[2.2.2]octane
CID 18966438
2,2'-Oxybis(6-phenylpyridine)
CID 23135788
3-[6-[[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]oxy]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;platinum(2+)
CID 57615549
3-[6-[2-[6-(2,6-diphenoxy-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-diphenoxy-4H-pyridin-4-ide;platinum(2+)
CID 57615551
2-fluoro-3-[6-[2-[6-(2-fluoro-6-phenoxy-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-6-phenoxy-4H-pyridin-4-ide;platinum(2+)
CID 57615611
3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-methoxy-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;platinum(2+)
CID 57615710
2-phenyl-5-propan-2-yl-5H-chromeno[2,3-b]pyridine
CID 57618149
3-Phenyl-2-phenyl-6-[(5-phenyl-6-phenyl-2-pyridinyl)oxy]pyridine;platinum(2+)
CID 57739621
3-[6-[[6-(3-Isocyanobenzene-6-id-1-yl)-5-phenyl-2-pyridinyl]oxy]-3-phenyl-2-pyridinyl]benzene-4-ide-1-carbonitrile;platinum(2+)
CID 57739687

Frequently Asked Questions

What is the IUPAC name of iridium;2-(phenoxy)-6-[1-(6-phenyl-2-pyridinyl)ethyl]pyridine?
The IUPAC name of iridium;2-(phenoxy)-6-[1-(6-phenyl-2-pyridinyl)ethyl]pyridine (CID 58106963) is iridium;2-(phenoxy)-6-[1-(6-phenyl-2-pyridinyl)ethyl]pyridine.
What is the SMILES notation for iridium;2-(phenoxy)-6-[1-(6-phenyl-2-pyridinyl)ethyl]pyridine?
The canonical SMILES for iridium;2-(phenoxy)-6-[1-(6-phenyl-2-pyridinyl)ethyl]pyridine is CC(c1cccc(Oc2[c-]cccc2)n1)c1cccc(-c2[c-]cccc2)n1.[Ir].
What is the InChIKey of iridium;2-(phenoxy)-6-[1-(6-phenyl-2-pyridinyl)ethyl]pyridine?
The InChIKey is BAODRUIHNCVKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O.Ir/c1-18(21-14-8-16-23(25-21)19-10-4-2-5-11-19)22-15-9-17-24(26-22)27-20-12-6-3-7-13-20;/h2-10,12,14-18H,1H3;/q-2;.
What are the key properties of iridium;2-(phenoxy)-6-[1-(6-phenyl-2-pyridinyl)ethyl]pyridine?
iridium;2-(phenoxy)-6-[1-(6-phenyl-2-pyridinyl)ethyl]pyridine has a molecular weight of 542.64 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-(phenoxy)-6-[1-(6-phenyl-2-pyridinyl)ethyl]pyridine is sourced from PubChem (CID 58106963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).