iridium;2-phenylpyridine;trimethyl-[6-(7-phenylimidazo[4,5-e][1,2,4]triazin-6-yl)-7H-dibenzofuran-7-id-3-yl]silane

C36H28IrN6OSi-2 — CID 164825208

IUPACiridium;2-phenylpyridine;trimethyl-[6-(7-phenylimidazo[4,5-e][1,2,4]triazin-6-yl)-7H-dibenzofuran-7-id-3-yl]silane
SMILESC[Si](C)(C)c1ccc2c(c1)oc1c(-c3nc4ncnnc4n3-c3ccccc3)[c-]ccc12.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C25H20N5OSi.C11H8N.Ir/c1-32(2,3)17-12-13-18-19-10-7-11-20(22(19)31-21(18)14-17)24-28-23-25(29-27-15-26-23)30(24)16-8-5-4-6-9-16;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h4-10,12-15H,1-3H3;1-6,8-9H;/q2*-1;
InChIKeyDALYKDBLXSYJEX-UHFFFAOYSA-N
MW780.96 g/mol
LogP7.67
Rot. Bonds4

About iridium;2-phenylpyridine;trimethyl-[6-(7-phenylimidazo[4,5-e][1,2,4]triazin-6-yl)-7H-dibenzofuran-7-id-3-yl]silane

iridium;2-phenylpyridine;trimethyl-[6-(7-phenylimidazo[4,5-e][1,2,4]triazin-6-yl)-7H-dibenzofuran-7-id-3-yl]silane (PubChem CID 164825208) has the molecular formula C36H28IrN6OSi-2 and a molecular weight of 780.96 g/mol. Its IUPAC name is iridium;2-phenylpyridine;trimethyl-[6-(7-phenylimidazo[4,5-e][1,2,4]triazin-6-yl)-7H-dibenzofuran-7-id-3-yl]silane.

Molecular Properties

Compound Nameiridium;2-phenylpyridine;trimethyl-[6-(7-phenylimidazo[4,5-e][1,2,4]triazin-6-yl)-7H-dibenzofuran-7-id-3-yl]silane
PubChem CID164825208
Molecular FormulaC36H28IrN6OSi-2
Molecular Weight780.96 g/mol
Exact Mass781.17
IUPAC Nameiridium;2-phenylpyridine;trimethyl-[6-(7-phenylimidazo[4,5-e][1,2,4]triazin-6-yl)-7H-dibenzofuran-7-id-3-yl]silane
SMILESC[Si](C)(C)c1ccc2c(c1)oc1c(-c3nc4ncnnc4n3-c3ccccc3)[c-]ccc12.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C25H20N5OSi.C11H8N.Ir/c1-32(2,3)17-12-13-18-19-10-7-11-20(22(19)31-21(18)14-17)24-28-23-25(29-27-15-26-23)30(24)16-8-5-4-6-9-16;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h4-10,12-15H,1-3H3;1-6,8-9H;/q2*-1;
InChIKeyDALYKDBLXSYJEX-UHFFFAOYSA-N
XLogP7.67
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.96
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

iridium;2-phenylpyridine;trimethyl-[6-(7-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]silane
CID 164826121
[6-(4-tert-butyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]-trimethylsilane;iridium;2-phenylpyridine
CID 164824881
iridium;6-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-phenylimidazo[4,5-e][1,2,4]triazine;2-phenylpyridine
CID 164825623
2-[7-(2-deuteriopropan-2-yl)-3H-dibenzofuran-3-id-4-yl]-3-phenylimidazo[4,5-b]pyrazine;iridium;2-phenylpyridine
CID 164825816
iridium;2-phenylpyridine;trimethyl-[6-(3-phenylimidazo[4,5-b]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]germane
CID 164826362
2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-5-methyl-3-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine
CID 164826899
iridium;2-methyl-8-(5-phenylimidazo[4,5-e]tetrazin-6-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine
CID 164827363
2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-phenylimidazo[4,5-c]cinnoline;iridium;2-phenylpyridine
CID 164826269
6-[7-(2-deuteriopropan-2-yl)-3H-dibenzofuran-3-id-4-yl]-5-phenylimidazo[4,5-d]triazine;iridium;2-phenylpyridine
CID 164826433
2-(3H-dibenzofuran-3-id-4-yl)-3,5-diphenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine
CID 164825468
5-tert-butyl-3-phenyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-b]pyridine;iridium;2-phenylpyridine
CID 164826330
2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-1-phenylimidazo[4,5-b]quinoline;iridium;2-phenylpyridine
CID 164824770

Frequently Asked Questions

What is the IUPAC name of iridium;2-phenylpyridine;trimethyl-[6-(7-phenylimidazo[4,5-e][1,2,4]triazin-6-yl)-7H-dibenzofuran-7-id-3-yl]silane?
The IUPAC name of iridium;2-phenylpyridine;trimethyl-[6-(7-phenylimidazo[4,5-e][1,2,4]triazin-6-yl)-7H-dibenzofuran-7-id-3-yl]silane (CID 164825208) is iridium;2-phenylpyridine;trimethyl-[6-(7-phenylimidazo[4,5-e][1,2,4]triazin-6-yl)-7H-dibenzofuran-7-id-3-yl]silane.
What is the SMILES notation for iridium;2-phenylpyridine;trimethyl-[6-(7-phenylimidazo[4,5-e][1,2,4]triazin-6-yl)-7H-dibenzofuran-7-id-3-yl]silane?
The canonical SMILES for iridium;2-phenylpyridine;trimethyl-[6-(7-phenylimidazo[4,5-e][1,2,4]triazin-6-yl)-7H-dibenzofuran-7-id-3-yl]silane is C[Si](C)(C)c1ccc2c(c1)oc1c(-c3nc4ncnnc4n3-c3ccccc3)[c-]ccc12.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium;2-phenylpyridine;trimethyl-[6-(7-phenylimidazo[4,5-e][1,2,4]triazin-6-yl)-7H-dibenzofuran-7-id-3-yl]silane?
The InChIKey is DALYKDBLXSYJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N5OSi.C11H8N.Ir/c1-32(2,3)17-12-13-18-19-10-7-11-20(22(19)31-21(18)14-17)24-28-23-25(29-27-15-26-23)30(24)16-8-5-4-6-9-16;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h4-10,12-15H,1-3H3;1-6,8-9H;/q2*-1;.
What are the key properties of iridium;2-phenylpyridine;trimethyl-[6-(7-phenylimidazo[4,5-e][1,2,4]triazin-6-yl)-7H-dibenzofuran-7-id-3-yl]silane?
iridium;2-phenylpyridine;trimethyl-[6-(7-phenylimidazo[4,5-e][1,2,4]triazin-6-yl)-7H-dibenzofuran-7-id-3-yl]silane has a molecular weight of 780.96 g/mol, XLogP of 7.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-phenylpyridine;trimethyl-[6-(7-phenylimidazo[4,5-e][1,2,4]triazin-6-yl)-7H-dibenzofuran-7-id-3-yl]silane is sourced from PubChem (CID 164825208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).