6-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

About 6-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

6-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (PubChem CID 155612502) has the molecular formula C41H47IrN3OSi-2 and a molecular weight of 818.15 g/mol. Its IUPAC name is 6-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

Molecular Properties

Compound Name	6-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
PubChem CID	155612502
Molecular Formula	C41H47IrN3OSi-2
Molecular Weight	818.15 g/mol
Exact Mass	818.31
IUPAC Name	6-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
SMILES	CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1ccc2c(n1)oc1c[c-]c(-c3cc(CC(C)(C)C)c(C)cn3)cc12.[Ir]
InChI	InChI=1S/C23H23N2O.C18H24NSi.Ir/c1-14-13-24-20(11-17(14)12-23(3,4)5)16-7-9-21-19(10-16)18-8-6-15(2)25-22(18)26-21;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h6,8-11,13H,12H2,1-5H3;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKey	HVUANODTRSQQQL-UHFFFAOYSA-N
XLogP	10.34
TPSA	51.81 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	47
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	818.15
LogP ≤ 5	10.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The IUPAC name of 6-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (CID 155612502) is 6-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

What is the SMILES notation for 6-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The canonical SMILES for 6-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1ccc2c(n1)oc1c[c-]c(-c3cc(CC(C)(C)C)c(C)cn3)cc12.[Ir].

What is the InChIKey of 6-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The InChIKey is HVUANODTRSQQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N2O.C18H24NSi.Ir/c1-14-13-24-20(11-17(14)12-23(3,4)5)16-7-9-21-19(10-16)18-8-6-15(2)25-22(18)26-21;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h6,8-11,13H,12H2,1-5H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.

What are the key properties of 6-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

6-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane has a molecular weight of 818.15 g/mol, XLogP of 10.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is sourced from PubChem (CID 155612502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).