iridium;1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)silane

C50H36F3IrN3OSi-2 — CID 156659068

IUPACiridium;1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)silane
SMILESC[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.FC(F)(F)c1c[c-]c(-c2nc3ccccc3n2-c2ccccc2-c2ccccc2)c2oc3c4ccccc4ccc3c12.[Ir]
InChIInChI=1S/C36H20F3N2O.C14H16NSi.Ir/c37-36(38,39)28-21-20-27(34-32(28)26-19-18-23-12-4-5-14-25(23)33(26)42-34)35-40-29-15-7-9-17-31(29)41(35)30-16-8-6-13-24(30)22-10-2-1-3-11-22;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h1-19,21H;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyXAPNFVCEKUEXRT-UHFFFAOYSA-N
MW972.16 g/mol
LogP13.32
Rot. Bonds5

About iridium;1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)silane

iridium;1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)silane (PubChem CID 156659068) has the molecular formula C50H36F3IrN3OSi-2 and a molecular weight of 972.16 g/mol. Its IUPAC name is iridium;1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)silane.

Molecular Properties

Compound Nameiridium;1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)silane
PubChem CID156659068
Molecular FormulaC50H36F3IrN3OSi-2
Molecular Weight972.16 g/mol
Exact Mass972.22
IUPAC Nameiridium;1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)silane
SMILESC[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.FC(F)(F)c1c[c-]c(-c2nc3ccccc3n2-c2ccccc2-c2ccccc2)c2oc3c4ccccc4ccc3c12.[Ir]
InChIInChI=1S/C36H20F3N2O.C14H16NSi.Ir/c37-36(38,39)28-21-20-27(34-32(28)26-19-18-23-12-4-5-14-25(23)33(26)42-34)35-40-29-15-7-9-17-31(29)41(35)30-16-8-6-13-24(30)22-10-2-1-3-11-22;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h1-19,21H;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyXAPNFVCEKUEXRT-UHFFFAOYSA-N
XLogP13.32
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500972.16
LogP ≤ 513.32
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

iridium;1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156657576
iridium;1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156658298
1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156658793
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium
CID 156659082
1-[2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156659744
iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156667924
iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156671121
iridium;2-[7-(5,5,6,6,7,7,8,8-octafluoronaphthalen-2-yl)-3H-dibenzofuran-3-id-4-yl]-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenylpyridine
CID 165383612
iridium;6,6,7,7,8,8,9,9-octafluoro-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;2-phenylpyridine
CID 165383694
2-(3H-dibenzofuran-3-id-4-yl)-6,6,7,7,8,8,9,9-octafluoro-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;iridium;2-phenylpyridine
CID 165383754
iridium;2-(1,1,2,2,3,3,4,4-octafluoro-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenylpyridine
CID 165383787
12-[4-[3-Fluoro-2-(2-methoxy-6-phenylphenyl)phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 167048552

Frequently Asked Questions

What is the IUPAC name of iridium;1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)silane?
The IUPAC name of iridium;1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)silane (CID 156659068) is iridium;1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)silane.
What is the SMILES notation for iridium;1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)silane?
The canonical SMILES for iridium;1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)silane is C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.FC(F)(F)c1c[c-]c(-c2nc3ccccc3n2-c2ccccc2-c2ccccc2)c2oc3c4ccccc4ccc3c12.[Ir].
What is the InChIKey of iridium;1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)silane?
The InChIKey is XAPNFVCEKUEXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20F3N2O.C14H16NSi.Ir/c37-36(38,39)28-21-20-27(34-32(28)26-19-18-23-12-4-5-14-25(23)33(26)42-34)35-40-29-15-7-9-17-31(29)41(35)30-16-8-6-13-24(30)22-10-2-1-3-11-22;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h1-19,21H;4-7,9-11H,1-3H3;/q2*-1;.
What are the key properties of iridium;1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)silane?
iridium;1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)silane has a molecular weight of 972.16 g/mol, XLogP of 13.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 156659068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).