1-[4-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane

C59H46F9IrN3OSi-2 — CID 169299562

IUPAC1-[4-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
SMILESC[Si](C)(C)c1ccc(-c2[c-]cc(C(F)(F)F)cc2)nc1.[2H]C([2H])(c1ccc(-c2cc(C(F)(F)F)c(-n3c(-c4[c-]ccc5c4oc4cc(-c6ccccc6)ccc45)nc4ccccc43)c(C(F)(F)F)c2)cc1)C(C)(C)C.[Ir]
InChIInChI=1S/C44H31F6N2O.C15H15F3NSi.Ir/c1-42(2,3)25-26-16-18-28(19-17-26)30-22-34(43(45,46)47)39(35(23-30)44(48,49)50)52-37-15-8-7-14-36(37)51-41(52)33-13-9-12-32-31-21-20-29(24-38(31)53-40(32)33)27-10-5-4-6-11-27;1-20(2,3)13-8-9-14(19-10-13)11-4-6-12(7-5-11)15(16,17)18;/h4-12,14-24H,25H2,1-3H3;4,6-10H,1-3H3;/q2*-1;/i25D2;;
InChIKeyXLENBADOTRWSQJ-LNWRQOIUSA-N
MW1206.33 g/mol
LogP17.46
Rot. Bonds7

About 1-[4-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane

1-[4-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane (PubChem CID 169299562) has the molecular formula C59H46F9IrN3OSi-2 and a molecular weight of 1206.33 g/mol. Its IUPAC name is 1-[4-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane.

Molecular Properties

Compound Name1-[4-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
PubChem CID169299562
Molecular FormulaC59H46F9IrN3OSi-2
Molecular Weight1206.33 g/mol
Exact Mass1206.30
IUPAC Name1-[4-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
SMILESC[Si](C)(C)c1ccc(-c2[c-]cc(C(F)(F)F)cc2)nc1.[2H]C([2H])(c1ccc(-c2cc(C(F)(F)F)c(-n3c(-c4[c-]ccc5c4oc4cc(-c6ccccc6)ccc45)nc4ccccc43)c(C(F)(F)F)c2)cc1)C(C)(C)C.[Ir]
InChIInChI=1S/C44H31F6N2O.C15H15F3NSi.Ir/c1-42(2,3)25-26-16-18-28(19-17-26)30-22-34(43(45,46)47)39(35(23-30)44(48,49)50)52-37-15-8-7-14-36(37)51-41(52)33-13-9-12-32-31-21-20-29(24-38(31)53-40(32)33)27-10-5-4-6-11-27;1-20(2,3)13-8-9-14(19-10-13)11-4-6-12(7-5-11)15(16,17)18;/h4-12,14-24H,25H2,1-3H3;4,6-10H,1-3H3;/q2*-1;/i25D2;;
InChIKeyXLENBADOTRWSQJ-LNWRQOIUSA-N
XLogP17.46
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001206.33
LogP ≤ 517.46
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'}

Analyze 1-[4-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?
The IUPAC name of 1-[4-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane (CID 169299562) is 1-[4-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane.
What is the SMILES notation for 1-[4-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?
The canonical SMILES for 1-[4-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane is C[Si](C)(C)c1ccc(-c2[c-]cc(C(F)(F)F)cc2)nc1.[2H]C([2H])(c1ccc(-c2cc(C(F)(F)F)c(-n3c(-c4[c-]ccc5c4oc4cc(-c6ccccc6)ccc45)nc4ccccc43)c(C(F)(F)F)c2)cc1)C(C)(C)C.[Ir].
What is the InChIKey of 1-[4-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?
The InChIKey is XLENBADOTRWSQJ-LNWRQOIUSA-N. The full InChI is InChI=1S/C44H31F6N2O.C15H15F3NSi.Ir/c1-42(2,3)25-26-16-18-28(19-17-26)30-22-34(43(45,46)47)39(35(23-30)44(48,49)50)52-37-15-8-7-14-36(37)51-41(52)33-13-9-12-32-31-21-20-29(24-38(31)53-40(32)33)27-10-5-4-6-11-27;1-20(2,3)13-8-9-14(19-10-13)11-4-6-12(7-5-11)15(16,17)18;/h4-12,14-24H,25H2,1-3H3;4,6-10H,1-3H3;/q2*-1;/i25D2;;.
What are the key properties of 1-[4-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?
1-[4-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane has a molecular weight of 1206.33 g/mol, XLogP of 17.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane is sourced from PubChem (CID 169299562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).