[4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium

C70H58FIrN3OSi-2 — CID 156658196

IUPAC[4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium
SMILESFc1ccccc1-c1ccc2c(c1)oc1c(-c3nc4ccccc4n3-c3ccc(-c4ccccc4)cc3-c3ccccc3)[c-]cc(-c3ccccc3)c12.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C1CCCCC1.[Ir]
InChIInChI=1S/C49H30FN2O.C21H28NSi.Ir/c50-42-21-11-10-20-37(42)36-24-26-39-46(31-36)53-48-40(28-27-38(47(39)48)33-16-6-2-7-17-33)49-51-43-22-12-13-23-45(43)52(49)44-29-25-35(32-14-4-1-5-15-32)30-41(44)34-18-8-3-9-19-34;1-23(2,3)21-16-22-20(18-12-8-5-9-13-18)15-19(21)14-17-10-6-4-7-11-17;/h1-27,29-31H;5,8-9,12,15-17H,4,6-7,10-11,14H2,1-3H3;/q2*-1;/i;14D2;
InChIKeyADNJMDAXNOVBBA-YYWUDGSWSA-N
MW1198.57 g/mol
LogP18.41
Rot. Bonds10

About [4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium

[4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium (PubChem CID 156658196) has the molecular formula C70H58FIrN3OSi-2 and a molecular weight of 1198.57 g/mol. Its IUPAC name is [4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium.

Molecular Properties

Compound Name[4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium
PubChem CID156658196
Molecular FormulaC70H58FIrN3OSi-2
Molecular Weight1198.57 g/mol
Exact Mass1198.41
IUPAC Name[4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium
SMILESFc1ccccc1-c1ccc2c(c1)oc1c(-c3nc4ccccc4n3-c3ccc(-c4ccccc4)cc3-c3ccccc3)[c-]cc(-c3ccccc3)c12.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C1CCCCC1.[Ir]
InChIInChI=1S/C49H30FN2O.C21H28NSi.Ir/c50-42-21-11-10-20-37(42)36-24-26-39-46(31-36)53-48-40(28-27-38(47(39)48)33-16-6-2-7-17-33)49-51-43-22-12-13-23-45(43)52(49)44-29-25-35(32-14-4-1-5-15-32)30-41(44)34-18-8-3-9-19-34;1-23(2,3)21-16-22-20(18-12-8-5-9-13-18)15-19(21)14-17-10-6-4-7-11-17;/h1-27,29-31H;5,8-9,12,15-17H,4,6-7,10-11,14H2,1-3H3;/q2*-1;/i;14D2;
InChIKeyADNJMDAXNOVBBA-YYWUDGSWSA-N
XLogP18.41
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001198.57
LogP ≤ 518.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium?
The IUPAC name of [4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium (CID 156658196) is [4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium.
What is the SMILES notation for [4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium?
The canonical SMILES for [4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium is Fc1ccccc1-c1ccc2c(c1)oc1c(-c3nc4ccccc4n3-c3ccc(-c4ccccc4)cc3-c3ccccc3)[c-]cc(-c3ccccc3)c12.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C1CCCCC1.[Ir].
What is the InChIKey of [4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium?
The InChIKey is ADNJMDAXNOVBBA-YYWUDGSWSA-N. The full InChI is InChI=1S/C49H30FN2O.C21H28NSi.Ir/c50-42-21-11-10-20-37(42)36-24-26-39-46(31-36)53-48-40(28-27-38(47(39)48)33-16-6-2-7-17-33)49-51-43-22-12-13-23-45(43)52(49)44-29-25-35(32-14-4-1-5-15-32)30-41(44)34-18-8-3-9-19-34;1-23(2,3)21-16-22-20(18-12-8-5-9-13-18)15-19(21)14-17-10-6-4-7-11-17;/h1-27,29-31H;5,8-9,12,15-17H,4,6-7,10-11,14H2,1-3H3;/q2*-1;/i;14D2;.
What are the key properties of [4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium?
[4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium has a molecular weight of 1198.57 g/mol, XLogP of 18.41, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium is sourced from PubChem (CID 156658196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).