2,5-dimethyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

C47H48IrN4OSi-2 — CID 156670634

IUPAC2,5-dimethyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc(C)c(-n2c(-c3[c-]cc(C)c4c3oc3nc(C)ccc34)nc3ccccc32)c(C)c1.[Ir]
InChIInChI=1S/C29H24N3O.C18H24NSi.Ir/c1-16-14-18(3)26(19(4)15-16)32-24-9-7-6-8-23(24)31-28(32)22-12-10-17(2)25-21-13-11-20(5)30-29(21)33-27(22)25;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h6-11,13-15H,1-5H3;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeyJDJDVFIVGFWYFF-UHFFFAOYSA-N
MW905.23 g/mol
LogP11.62
Rot. Bonds6

About 2,5-dimethyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

2,5-dimethyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (PubChem CID 156670634) has the molecular formula C47H48IrN4OSi-2 and a molecular weight of 905.23 g/mol. Its IUPAC name is 2,5-dimethyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

Molecular Properties

Compound Name2,5-dimethyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
PubChem CID156670634
Molecular FormulaC47H48IrN4OSi-2
Molecular Weight905.23 g/mol
Exact Mass905.32
IUPAC Name2,5-dimethyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc(C)c(-n2c(-c3[c-]cc(C)c4c3oc3nc(C)ccc34)nc3ccccc32)c(C)c1.[Ir]
InChIInChI=1S/C29H24N3O.C18H24NSi.Ir/c1-16-14-18(3)26(19(4)15-16)32-24-9-7-6-8-23(24)31-28(32)22-12-10-17(2)25-21-13-11-20(5)30-29(21)33-27(22)25;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h6-11,13-15H,1-5H3;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeyJDJDVFIVGFWYFF-UHFFFAOYSA-N
XLogP11.62
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.23
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,5-dimethyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane with MolForge

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Related Compounds

iridium;5-methyl-2-phenyl-8-[1-(10-propan-2-ylphenanthren-9-yl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156669830
iridium;2-methyl-5-propan-2-yl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156670506
2-tert-butyl-8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156667742
iridium;2-methyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156672373
iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;2,3,5-trimethyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 156669477
8-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156667971
2-tert-butyl-6-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156670850
2-tert-butyl-8-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-tert-butyl-8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-tert-butyl-5-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-tert-butyl-5-methyl-8-[1-(10-propan-2-ylphenanthren-9-yl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)
CID 159772658
iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156670648
[4-(2-ethylbutyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 156668187
8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156670140
4-(2-deuteriopropan-2-yl)-2-phenyl-5-(trideuteriomethyl)pyridine;8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2,5-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 170941177

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?
The IUPAC name of 2,5-dimethyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (CID 156670634) is 2,5-dimethyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-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 2,5-dimethyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?
The canonical SMILES for 2,5-dimethyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-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.Cc1cc(C)c(-n2c(-c3[c-]cc(C)c4c3oc3nc(C)ccc34)nc3ccccc32)c(C)c1.[Ir].
What is the InChIKey of 2,5-dimethyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?
The InChIKey is JDJDVFIVGFWYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N3O.C18H24NSi.Ir/c1-16-14-18(3)26(19(4)15-16)32-24-9-7-6-8-23(24)31-28(32)22-12-10-17(2)25-21-13-11-20(5)30-29(21)33-27(22)25;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h6-11,13-15H,1-5H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.
What are the key properties of 2,5-dimethyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?
2,5-dimethyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane has a molecular weight of 905.23 g/mol, XLogP of 11.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is sourced from PubChem (CID 156670634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).