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

C38H35F3IrN4OSi-2 — CID 156667415

IUPACiridium;8-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cn1c(-c2[c-]ccc3c2oc2nc(C(F)(F)F)ccc23)nc2ccccc21.[Ir]
InChIInChI=1S/C20H11F3N3O.C18H24NSi.Ir/c1-26-15-8-3-2-7-14(15)24-18(26)13-6-4-5-11-12-9-10-16(20(21,22)23)25-19(12)27-17(11)13;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h2-5,7-10H,1H3;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeyWXTIRIYEKUZFJR-UHFFFAOYSA-N
MW841.02 g/mol
LogP9.64
Rot. Bonds5

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

iridium;8-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (PubChem CID 156667415) has the molecular formula C38H35F3IrN4OSi-2 and a molecular weight of 841.02 g/mol. Its IUPAC name is iridium;8-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

Molecular Properties

Compound Nameiridium;8-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
PubChem CID156667415
Molecular FormulaC38H35F3IrN4OSi-2
Molecular Weight841.02 g/mol
Exact Mass841.22
IUPAC Nameiridium;8-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cn1c(-c2[c-]ccc3c2oc2nc(C(F)(F)F)ccc23)nc2ccccc21.[Ir]
InChIInChI=1S/C20H11F3N3O.C18H24NSi.Ir/c1-26-15-8-3-2-7-14(15)24-18(26)13-6-4-5-11-12-9-10-16(20(21,22)23)25-19(12)27-17(11)13;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h2-5,7-10H,1H3;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeyWXTIRIYEKUZFJR-UHFFFAOYSA-N
XLogP9.64
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.02
LogP ≤ 59.64
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'}

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Related Compounds

iridium;1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156658298
1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156658793
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium
CID 156659082
1-[2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156659744
8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156667464
iridium;8-(1-propan-2-ylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156667733
8-[1-[3-[2,6-di(propan-2-yl)phenyl]propyl]benzo[e]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium
CID 156667762
iridium;8-[1-(10-propan-2-ylphenanthren-9-yl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156667872
8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156667891
iridium;8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156668055
8-[3-[2,6-di(propan-2-yl)phenyl]-7-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane
CID 156668062
iridium;8-(1-phenylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156668217

Frequently Asked Questions

What is the IUPAC name of iridium;8-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?
The IUPAC name of iridium;8-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (CID 156667415) is iridium;8-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.
What is the SMILES notation for iridium;8-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?
The canonical SMILES for iridium;8-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cn1c(-c2[c-]ccc3c2oc2nc(C(F)(F)F)ccc23)nc2ccccc21.[Ir].
What is the InChIKey of iridium;8-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?
The InChIKey is WXTIRIYEKUZFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F3N3O.C18H24NSi.Ir/c1-26-15-8-3-2-7-14(15)24-18(26)13-6-4-5-11-12-9-10-16(20(21,22)23)25-19(12)27-17(11)13;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h2-5,7-10H,1H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.
What are the key properties of iridium;8-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?
iridium;8-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane has a molecular weight of 841.02 g/mol, XLogP of 9.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;8-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is sourced from PubChem (CID 156667415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).