1-(2,6-dimethylphenyl)-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

C45H42FIrN3OSi-2 — CID 167332806

IUPAC1-(2,6-dimethylphenyl)-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cccc(C)c1-n1c(-c2[c-]ccc3c2oc2cc(F)ccc23)nc2ccccc21.[Ir]
InChIInChI=1S/C27H18FN2O.C18H24NSi.Ir/c1-16-7-5-8-17(2)25(16)30-23-12-4-3-11-22(23)29-27(30)21-10-6-9-20-19-14-13-18(28)15-24(19)31-26(20)21;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h3-9,11-15H,1-2H3;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeyHAHKVFFTGFPVDF-UHFFFAOYSA-N
MW880.15 g/mol
LogP11.44
Rot. Bonds6

About 1-(2,6-dimethylphenyl)-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

1-(2,6-dimethylphenyl)-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (PubChem CID 167332806) has the molecular formula C45H42FIrN3OSi-2 and a molecular weight of 880.15 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
PubChem CID167332806
Molecular FormulaC45H42FIrN3OSi-2
Molecular Weight880.15 g/mol
Exact Mass880.27
IUPAC Name1-(2,6-dimethylphenyl)-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cccc(C)c1-n1c(-c2[c-]ccc3c2oc2cc(F)ccc23)nc2ccccc21.[Ir]
InChIInChI=1S/C27H18FN2O.C18H24NSi.Ir/c1-16-7-5-8-17(2)25(16)30-23-12-4-3-11-22(23)29-27(30)21-10-6-9-20-19-14-13-18(28)15-24(19)31-26(20)21;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h3-9,11-15H,1-2H3;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeyHAHKVFFTGFPVDF-UHFFFAOYSA-N
XLogP11.44
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.15
LogP ≤ 511.44
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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Related Compounds

2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane
CID 156659737
1-[2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156657888
2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;[4-(2-ethylbutyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 156659986
1-dibenzofuran-4-yl-2-(7-fluoro-1-methyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[4-(2,3-dimethylbutyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 156658041
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-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethyl-4-phenylphenyl)benzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 156657132
1-[2,6-di(propan-2-yl)phenyl]-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;2-phenyl-4,5-bis(trideuteriomethyl)pyridine
CID 176784485
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-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-2-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 176643940
iridium;1-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156669613
2-(3H-dibenzofuran-3-id-4-yl)-1-(3,9,9-trimethylfluoren-2-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 165161686
bis(iridium);methanol;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(7-phenyldibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trifluoromethanesulfonic acid;bis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)
CID 162087476

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?
The IUPAC name of 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) is 1-(2,6-dimethylphenyl)-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?
The canonical SMILES for 1-(2,6-dimethylphenyl)-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cccc(C)c1-n1c(-c2[c-]ccc3c2oc2cc(F)ccc23)nc2ccccc21.[Ir].
What is the InChIKey of 1-(2,6-dimethylphenyl)-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?
The InChIKey is HAHKVFFTGFPVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18FN2O.C18H24NSi.Ir/c1-16-7-5-8-17(2)25(16)30-23-12-4-3-11-22(23)29-27(30)21-10-6-9-20-19-14-13-18(28)15-24(19)31-26(20)21;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h3-9,11-15H,1-2H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.
What are the key properties of 1-(2,6-dimethylphenyl)-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?
1-(2,6-dimethylphenyl)-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane has a molecular weight of 880.15 g/mol, XLogP of 11.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is sourced from PubChem (CID 167332806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).