2-fluoro-8-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane

C51H47FIrN4OSi-2 — CID 176756332

IUPAC2-fluoro-8-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1Cn1c(-c2[c-]ccc3c2oc2nc(F)ccc23)nc2ccccc21.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir]
InChIInChI=1S/C37H31FN3O.C14H16NSi.Ir/c1-22(2)29-19-25(24-11-6-5-7-12-24)20-30(23(3)4)31(29)21-41-33-16-9-8-15-32(33)39-36(41)28-14-10-13-26-27-17-18-34(38)40-37(27)42-35(26)28;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h5-13,15-20,22-23H,21H2,1-4H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyLHDYKJNUBQWKAL-UHFFFAOYSA-N
MW971.26 g/mol
LogP12.99
Rot. Bonds8

About 2-fluoro-8-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane

2-fluoro-8-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (PubChem CID 176756332) has the molecular formula C51H47FIrN4OSi-2 and a molecular weight of 971.26 g/mol. Its IUPAC name is 2-fluoro-8-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.

Molecular Properties

Compound Name2-fluoro-8-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
PubChem CID176756332
Molecular FormulaC51H47FIrN4OSi-2
Molecular Weight971.26 g/mol
Exact Mass971.31
IUPAC Name2-fluoro-8-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1Cn1c(-c2[c-]ccc3c2oc2nc(F)ccc23)nc2ccccc21.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir]
InChIInChI=1S/C37H31FN3O.C14H16NSi.Ir/c1-22(2)29-19-25(24-11-6-5-7-12-24)20-30(23(3)4)31(29)21-41-33-16-9-8-15-32(33)39-36(41)28-14-10-13-26-27-17-18-34(38)40-37(27)42-35(26)28;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h5-13,15-20,22-23H,21H2,1-4H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyLHDYKJNUBQWKAL-UHFFFAOYSA-N
XLogP12.99
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500971.26
LogP ≤ 512.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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

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Related Compounds

6-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-3-fluoro-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156668805
2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156658093
2-fluoro-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156671658
8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156670468
iridium(3+);2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;bis(trimethyl-(6-phenyl-3-pyridinyl)silane)
CID 171052103
CID 176823422
CID 176823422
iridium;2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156670299
CID 176823802
CID 176823802
2-(4,6-difluoro-1,3,5-triazin-2-yl)-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;2-phenylpyridine
CID 171051869
CID 176823381
CID 176823381
CID 171461615
CID 171461615
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]silane
CID 156669236

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-8-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?
The IUPAC name of 2-fluoro-8-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (CID 176756332) is 2-fluoro-8-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.
What is the SMILES notation for 2-fluoro-8-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?
The canonical SMILES for 2-fluoro-8-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1Cn1c(-c2[c-]ccc3c2oc2nc(F)ccc23)nc2ccccc21.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].
What is the InChIKey of 2-fluoro-8-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?
The InChIKey is LHDYKJNUBQWKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31FN3O.C14H16NSi.Ir/c1-22(2)29-19-25(24-11-6-5-7-12-24)20-30(23(3)4)31(29)21-41-33-16-9-8-15-32(33)39-36(41)28-14-10-13-26-27-17-18-34(38)40-37(27)42-35(26)28;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h5-13,15-20,22-23H,21H2,1-4H3;4-7,9-11H,1-3H3;/q2*-1;.
What are the key properties of 2-fluoro-8-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?
2-fluoro-8-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane has a molecular weight of 971.26 g/mol, XLogP of 12.99, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-8-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 176756332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).