2-[8-(4-fluoronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-1-naphthalen-1-ylbenzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane

C53H38FIrN3OSi-2 — CID 156660669

IUPAC2-[8-(4-fluoronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-1-naphthalen-1-ylbenzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
SMILESC[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Fc1ccc(-c2ccc3oc4c(-c5nc6ccccc6n5-c5cccc6ccccc56)[c-]ccc4c3c2)c2ccccc12.[Ir]
InChIInChI=1S/C39H22FN2O.C14H16NSi.Ir/c40-33-21-20-26(28-12-3-4-13-29(28)33)25-19-22-37-32(23-25)30-14-8-15-31(38(30)43-37)39-41-34-16-5-6-17-36(34)42(39)35-18-7-10-24-9-1-2-11-27(24)35;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h1-14,16-23H;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyZTBYLORQJMBIPC-UHFFFAOYSA-N
MW972.21 g/mol
LogP13.60
Rot. Bonds5

About 2-[8-(4-fluoronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-1-naphthalen-1-ylbenzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane

2-[8-(4-fluoronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-1-naphthalen-1-ylbenzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (PubChem CID 156660669) has the molecular formula C53H38FIrN3OSi-2 and a molecular weight of 972.21 g/mol. Its IUPAC name is 2-[8-(4-fluoronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-1-naphthalen-1-ylbenzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.

Molecular Properties

Compound Name2-[8-(4-fluoronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-1-naphthalen-1-ylbenzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
PubChem CID156660669
Molecular FormulaC53H38FIrN3OSi-2
Molecular Weight972.21 g/mol
Exact Mass972.24
IUPAC Name2-[8-(4-fluoronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-1-naphthalen-1-ylbenzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
SMILESC[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Fc1ccc(-c2ccc3oc4c(-c5nc6ccccc6n5-c5cccc6ccccc56)[c-]ccc4c3c2)c2ccccc12.[Ir]
InChIInChI=1S/C39H22FN2O.C14H16NSi.Ir/c40-33-21-20-26(28-12-3-4-13-29(28)33)25-19-22-37-32(23-25)30-14-8-15-31(38(30)43-37)39-41-34-16-5-6-17-36(34)42(39)35-18-7-10-24-9-1-2-11-27(24)35;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h1-14,16-23H;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyZTBYLORQJMBIPC-UHFFFAOYSA-N
XLogP13.60
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500972.21
LogP ≤ 513.60
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-(2,5-diphenylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156658677
2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156658615
6-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156671114
2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156658093
2-[7-(2,6-dimethylphenyl)-3H-dibenzofuran-3-id-4-yl]-1-(2,6-diphenylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 167332821
6-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-3-fluoro-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156668805
1-dibenzofuran-4-yl-2-[1-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156657602
CID 171461615
CID 171461615
iridium(3+);2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;bis(trimethyl-(6-phenyl-3-pyridinyl)silane)
CID 171052103
iridium;3-[7-(2,3,4-trifluorophenyl)-3H-dibenzofuran-3-id-4-yl]isoquinoline;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166576562
CID 172542951
CID 172542951
CID 171461742
CID 171461742

Frequently Asked Questions

What is the IUPAC name of 2-[8-(4-fluoronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-1-naphthalen-1-ylbenzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?
The IUPAC name of 2-[8-(4-fluoronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-1-naphthalen-1-ylbenzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (CID 156660669) is 2-[8-(4-fluoronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-1-naphthalen-1-ylbenzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.
What is the SMILES notation for 2-[8-(4-fluoronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-1-naphthalen-1-ylbenzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?
The canonical SMILES for 2-[8-(4-fluoronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-1-naphthalen-1-ylbenzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane is C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Fc1ccc(-c2ccc3oc4c(-c5nc6ccccc6n5-c5cccc6ccccc56)[c-]ccc4c3c2)c2ccccc12.[Ir].
What is the InChIKey of 2-[8-(4-fluoronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-1-naphthalen-1-ylbenzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?
The InChIKey is ZTBYLORQJMBIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H22FN2O.C14H16NSi.Ir/c40-33-21-20-26(28-12-3-4-13-29(28)33)25-19-22-37-32(23-25)30-14-8-15-31(38(30)43-37)39-41-34-16-5-6-17-36(34)42(39)35-18-7-10-24-9-1-2-11-27(24)35;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h1-14,16-23H;4-7,9-11H,1-3H3;/q2*-1;.
What are the key properties of 2-[8-(4-fluoronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-1-naphthalen-1-ylbenzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?
2-[8-(4-fluoronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-1-naphthalen-1-ylbenzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane has a molecular weight of 972.21 g/mol, XLogP of 13.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(4-fluoronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-1-naphthalen-1-ylbenzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 156660669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).