8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane

C45H51IrN3OSi-2 — CID 155611899

IUPAC8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
SMILESCC(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)c1ccc2c(n1)oc1c(-c3cc(CC4CC5CCC4CC5)ccn3)[c-]ccc12.[Ir]
InChIInChI=1S/C28H29N2O.C17H22NSi.Ir/c1-17(2)25-11-10-23-22-4-3-5-24(27(22)31-28(23)30-25)26-16-19(12-13-29-26)15-21-14-18-6-8-20(21)9-7-18;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;/h3-4,10-13,16-18,20-21H,6-9,14-15H2,1-2H3;6-9,11-13H,1-5H3;/q2*-1;
InChIKeyRRXKUSDYBQTAIN-UHFFFAOYSA-N
MW870.23 g/mol
LogP11.55
Rot. Bonds7

About 8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane

8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane (PubChem CID 155611899) has the molecular formula C45H51IrN3OSi-2 and a molecular weight of 870.23 g/mol. Its IUPAC name is 8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane.

Molecular Properties

Compound Name8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
PubChem CID155611899
Molecular FormulaC45H51IrN3OSi-2
Molecular Weight870.23 g/mol
Exact Mass870.34
IUPAC Name8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
SMILESCC(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)c1ccc2c(n1)oc1c(-c3cc(CC4CC5CCC4CC5)ccn3)[c-]ccc12.[Ir]
InChIInChI=1S/C28H29N2O.C17H22NSi.Ir/c1-17(2)25-11-10-23-22-4-3-5-24(27(22)31-28(23)30-25)26-16-19(12-13-29-26)15-21-14-18-6-8-20(21)9-7-18;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;/h3-4,10-13,16-18,20-21H,6-9,14-15H2,1-2H3;6-9,11-13H,1-5H3;/q2*-1;
InChIKeyRRXKUSDYBQTAIN-UHFFFAOYSA-N
XLogP11.55
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.23
LogP ≤ 511.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane with MolForge

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Launch Full Analysis

Related Compounds

4-(2-bicyclo[2.2.2]octanylmethyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 166574555
4-(2-bicyclo[2.2.2]octanylmethyl)-2-[7-(3,5-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 166573476
iridium;8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 155610573
4-(2-bicyclo[2.2.2]octanylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium
CID 166575401
4-(2-bicyclo[2.2.2]octanylmethyl)-2-[7-(3,4-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 166577702
[4-[2-bicyclo[2.2.2]octanyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 155611453
2-(2-deuteriopropan-2-yl)-8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 176593438
iridium;8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 155611465
4-(2-bicyclo[2.2.2]octanylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166577524
4-(cyclopentylmethyl)-2-[7-(2-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 166577921
iridium;8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 155611331
2-tert-butyl-8-[4-(cyclohexylmethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 155612745

Frequently Asked Questions

What is the IUPAC name of 8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane?
The IUPAC name of 8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane (CID 155611899) is 8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane.
What is the SMILES notation for 8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane?
The canonical SMILES for 8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane is CC(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)c1ccc2c(n1)oc1c(-c3cc(CC4CC5CCC4CC5)ccn3)[c-]ccc12.[Ir].
What is the InChIKey of 8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane?
The InChIKey is RRXKUSDYBQTAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N2O.C17H22NSi.Ir/c1-17(2)25-11-10-23-22-4-3-5-24(27(22)31-28(23)30-25)26-16-19(12-13-29-26)15-21-14-18-6-8-20(21)9-7-18;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;/h3-4,10-13,16-18,20-21H,6-9,14-15H2,1-2H3;6-9,11-13H,1-5H3;/q2*-1;.
What are the key properties of 8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane?
8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane has a molecular weight of 870.23 g/mol, XLogP of 11.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane is sourced from PubChem (CID 155611899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).