6-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium

C47H47FIrN4OSi-2 — CID 156671462

IUPAC6-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium
SMILESCC(C)Cc1cc(-c2[c-]cccc2F)ncc1[Si](C)(C)C.[2H]C([2H])([2H])c1ccc2c(n1)oc1c[c-]c(-c3nc4ccccc4n3-c3ccc(C(C)(C)C)cc3)cc12.[Ir]
InChIInChI=1S/C29H24N3O.C18H23FNSi.Ir/c1-18-9-15-22-23-17-19(10-16-26(23)33-28(22)30-18)27-31-24-7-5-6-8-25(24)32(27)21-13-11-20(12-14-21)29(2,3)4;1-13(2)10-14-11-17(15-8-6-7-9-16(15)19)20-12-18(14)21(3,4)5;/h5-9,11-17H,1-4H3;6-7,9,11-13H,10H2,1-5H3;/q2*-1;/i1D3;;
InChIKeyQCIGZTZUWQENMR-GXXYEPOPSA-N
MW926.24 g/mol
LogP11.82
Rot. Bonds7

About 6-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium

6-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 156671462) has the molecular formula C47H47FIrN4OSi-2 and a molecular weight of 926.24 g/mol. Its IUPAC name is 6-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

Compound Name6-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium
PubChem CID156671462
Molecular FormulaC47H47FIrN4OSi-2
Molecular Weight926.24 g/mol
Exact Mass926.33
IUPAC Name6-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium
SMILESCC(C)Cc1cc(-c2[c-]cccc2F)ncc1[Si](C)(C)C.[2H]C([2H])([2H])c1ccc2c(n1)oc1c[c-]c(-c3nc4ccccc4n3-c3ccc(C(C)(C)C)cc3)cc12.[Ir]
InChIInChI=1S/C29H24N3O.C18H23FNSi.Ir/c1-18-9-15-22-23-17-19(10-16-26(23)33-28(22)30-18)27-31-24-7-5-6-8-25(24)32(27)21-13-11-20(12-14-21)29(2,3)4;1-13(2)10-14-11-17(15-8-6-7-9-16(15)19)20-12-18(14)21(3,4)5;/h5-9,11-17H,1-4H3;6-7,9,11-13H,10H2,1-5H3;/q2*-1;/i1D3;;
InChIKeyQCIGZTZUWQENMR-GXXYEPOPSA-N
XLogP11.82
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.24
LogP ≤ 511.82
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

6-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium
CID 156670702
iridium;2-pentan-3-yl-6-(1-phenylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156667530
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-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]silane
CID 170531906
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
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
2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]silane
CID 170531687
iridium;1-phenyl-2-(3H-triphenylen-3-id-2-yl)benzimidazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 164750058
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
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
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
1-(4-fluoro-3-phenylphenyl)-2-[7-(2-phenylpropan-2-yl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 167331869

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium?
The IUPAC name of 6-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium (CID 156671462) is 6-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium.
What is the SMILES notation for 6-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium?
The canonical SMILES for 6-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium is CC(C)Cc1cc(-c2[c-]cccc2F)ncc1[Si](C)(C)C.[2H]C([2H])([2H])c1ccc2c(n1)oc1c[c-]c(-c3nc4ccccc4n3-c3ccc(C(C)(C)C)cc3)cc12.[Ir].
What is the InChIKey of 6-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium?
The InChIKey is QCIGZTZUWQENMR-GXXYEPOPSA-N. The full InChI is InChI=1S/C29H24N3O.C18H23FNSi.Ir/c1-18-9-15-22-23-17-19(10-16-26(23)33-28(22)30-18)27-31-24-7-5-6-8-25(24)32(27)21-13-11-20(12-14-21)29(2,3)4;1-13(2)10-14-11-17(15-8-6-7-9-16(15)19)20-12-18(14)21(3,4)5;/h5-9,11-17H,1-4H3;6-7,9,11-13H,10H2,1-5H3;/q2*-1;/i1D3;;.
What are the key properties of 6-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium?
6-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 926.24 g/mol, XLogP of 11.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 156671462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).