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

C52H46FIrN3O2Si-2 — CID 156658041

IUPAC1-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
SMILESCC(C)C(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1c[c-]c(-c2nc3ccccc3n2-c2cccc3c2oc2ccccc23)c2oc3cc(F)ccc3c12.[Ir]
InChIInChI=1S/C32H18FN2O2.C20H28NSi.Ir/c1-18-13-15-23(31-29(18)22-16-14-19(33)17-28(22)37-31)32-34-24-9-3-4-10-25(24)35(32)26-11-6-8-21-20-7-2-5-12-27(20)36-30(21)26;1-15(2)16(3)12-18-13-19(17-10-8-7-9-11-17)21-14-20(18)22(4,5)6;/h2-14,16-17H,1H3;7-10,13-16H,12H2,1-6H3;/q2*-1;
InChIKeyZBUSDRZNCFJYIF-UHFFFAOYSA-N
MW984.26 g/mol
LogP13.67
Rot. Bonds7

About 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

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 (PubChem CID 156658041) has the molecular formula C52H46FIrN3O2Si-2 and a molecular weight of 984.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID156658041
Molecular FormulaC52H46FIrN3O2Si-2
Molecular Weight984.26 g/mol
Exact Mass984.30
IUPAC Name1-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
SMILESCC(C)C(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1c[c-]c(-c2nc3ccccc3n2-c2cccc3c2oc2ccccc23)c2oc3cc(F)ccc3c12.[Ir]
InChIInChI=1S/C32H18FN2O2.C20H28NSi.Ir/c1-18-13-15-23(31-29(18)22-16-14-19(33)17-28(22)37-31)32-34-24-9-3-4-10-25(24)35(32)26-11-6-8-21-20-7-2-5-12-27(20)36-30(21)26;1-15(2)16(3)12-18-13-19(17-10-8-7-9-11-17)21-14-20(18)22(4,5)6;/h2-14,16-17H,1H3;7-10,13-16H,12H2,1-6H3;/q2*-1;
InChIKeyZBUSDRZNCFJYIF-UHFFFAOYSA-N
XLogP13.67
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500984.26
LogP ≤ 513.67
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

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
[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(3H-dibenzofuran-3-id-4-yl)-1-dibenzofuran-4-ylbenzimidazole;iridium
CID 156657667
iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;2,3,5-trimethyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 156669477
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
2,5-dimethyl-8-[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 156670634
[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-phenylphenyl)benzimidazole;iridium
CID 156658076
iridium;5-methyl-2-phenyl-8-[1-(10-propan-2-ylphenanthren-9-yl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156669830
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
9-[4-[3-[2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-3H-dibenzofuran-3-id-1-yl]carbazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 164741937
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
2-(1,7-difluoro-3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156658191
[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;1-(2-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium
CID 156657460

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1c[c-]c(-c2nc3ccccc3n2-c2cccc3c2oc2ccccc23)c2oc3cc(F)ccc3c12.[Ir].
What is the InChIKey of 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?
The InChIKey is ZBUSDRZNCFJYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18FN2O2.C20H28NSi.Ir/c1-18-13-15-23(31-29(18)22-16-14-19(33)17-28(22)37-31)32-34-24-9-3-4-10-25(24)35(32)26-11-6-8-21-20-7-2-5-12-27(20)36-30(21)26;1-15(2)16(3)12-18-13-19(17-10-8-7-9-11-17)21-14-20(18)22(4,5)6;/h2-14,16-17H,1H3;7-10,13-16H,12H2,1-6H3;/q2*-1;.
What are the key properties of 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?
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 has a molecular weight of 984.26 g/mol, XLogP of 13.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 156658041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).