2-(3H-dibenzofuran-3-id-4-yl)-5-fluoro-4-(2,4,6-trimethylphenyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

C44H43FIrN2OSi-2 — CID 164712028

IUPAC2-(3H-dibenzofuran-3-id-4-yl)-5-fluoro-4-(2,4,6-trimethylphenyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc(C)c(-c2cc(-c3[c-]ccc4c3oc3ccccc34)ncc2F)c(C)c1.[Ir]
InChIInChI=1S/C26H19FNO.C18H24NSi.Ir/c1-15-11-16(2)25(17(3)12-15)21-13-23(28-14-22(21)27)20-9-6-8-19-18-7-4-5-10-24(18)29-26(19)20;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h4-8,10-14H,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeyFOTADRLVBDEJTI-UHFFFAOYSA-N
MW855.14 g/mol
LogP11.47
Rot. Bonds6

About 2-(3H-dibenzofuran-3-id-4-yl)-5-fluoro-4-(2,4,6-trimethylphenyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

2-(3H-dibenzofuran-3-id-4-yl)-5-fluoro-4-(2,4,6-trimethylphenyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (PubChem CID 164712028) has the molecular formula C44H43FIrN2OSi-2 and a molecular weight of 855.14 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-5-fluoro-4-(2,4,6-trimethylphenyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

Molecular Properties

Compound Name2-(3H-dibenzofuran-3-id-4-yl)-5-fluoro-4-(2,4,6-trimethylphenyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
PubChem CID164712028
Molecular FormulaC44H43FIrN2OSi-2
Molecular Weight855.14 g/mol
Exact Mass855.28
IUPAC Name2-(3H-dibenzofuran-3-id-4-yl)-5-fluoro-4-(2,4,6-trimethylphenyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc(C)c(-c2cc(-c3[c-]ccc4c3oc3ccccc34)ncc2F)c(C)c1.[Ir]
InChIInChI=1S/C26H19FNO.C18H24NSi.Ir/c1-15-11-16(2)25(17(3)12-15)21-13-23(28-14-22(21)27)20-9-6-8-19-18-7-4-5-10-24(18)29-26(19)20;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h4-8,10-14H,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeyFOTADRLVBDEJTI-UHFFFAOYSA-N
XLogP11.47
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.14
LogP ≤ 511.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 162498233
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;5-fluoro-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-4-(2,4,6-trimethylphenyl)pyridine;iridium
CID 164712927
2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane
CID 156686699
iridium;4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 155611614
4-(cyclohexylmethyl)-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 166573573
2-[7-(3-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-pentan-3-ylpyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 166575327
iridium;4-(1-phenylethyl)-2-[8-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 166575688
iridium;4-pentan-3-yl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 166577116
1-(2,6-dimethylphenyl)-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 167332806
2-(2,6-dimethylphenyl)-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 155610932
iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-(3-phenyl-[1]benzofuro[3,2-c]pyridin-6-yl)silane
CID 166018685
2-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 155612022

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-5-fluoro-4-(2,4,6-trimethylphenyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?
The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-5-fluoro-4-(2,4,6-trimethylphenyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (CID 164712028) is 2-(3H-dibenzofuran-3-id-4-yl)-5-fluoro-4-(2,4,6-trimethylphenyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.
What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-5-fluoro-4-(2,4,6-trimethylphenyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?
The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-5-fluoro-4-(2,4,6-trimethylphenyl)pyridine;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(-c2cc(-c3[c-]ccc4c3oc3ccccc34)ncc2F)c(C)c1.[Ir].
What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-5-fluoro-4-(2,4,6-trimethylphenyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?
The InChIKey is FOTADRLVBDEJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FNO.C18H24NSi.Ir/c1-15-11-16(2)25(17(3)12-15)21-13-23(28-14-22(21)27)20-9-6-8-19-18-7-4-5-10-24(18)29-26(19)20;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h4-8,10-14H,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.
What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-5-fluoro-4-(2,4,6-trimethylphenyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?
2-(3H-dibenzofuran-3-id-4-yl)-5-fluoro-4-(2,4,6-trimethylphenyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane has a molecular weight of 855.14 g/mol, XLogP of 11.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-dibenzofuran-3-id-4-yl)-5-fluoro-4-(2,4,6-trimethylphenyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is sourced from PubChem (CID 164712028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).