[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-(8-fluorodibenzofuran-4-yl)-2-(1-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium

C53H42FIrN3OSSi-2 — CID 156659083

About [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-(8-fluorodibenzofuran-4-yl)-2-(1-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium

[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-(8-fluorodibenzofuran-4-yl)-2-(1-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium (PubChem CID 156659083) has the molecular formula C53H42FIrN3OSSi-2 and a molecular weight of 1009.31 g/mol. Its IUPAC name is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-(8-fluorodibenzofuran-4-yl)-2-(1-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium.

Molecular Properties

• Compound Name: [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-(8-fluorodibenzofuran-4-yl)-2-(1-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium
• PubChem CID: 156659083
• Molecular Formula: C53H42FIrN3OSSi-2
• Molecular Weight: 1009.31 g/mol
• Exact Mass: 1009.25
• IUPAC Name: [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-(8-fluorodibenzofuran-4-yl)-2-(1-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium
• SMILES: Cc1c[c-]c(-c2nc3cc4ccccc4cc3n2-c2cccc3c2oc2ccc(F)cc23)c2sc3ccccc3c12.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir]
• InChI: InChI=1S/C36H20FN2OS.C17H22NSi.Ir/c1-20-13-15-26(35-33(20)25-9-4-5-12-32(25)41-35)36-38-28-17-21-7-2-3-8-22(21)18-30(28)39(36)29-11-6-10-24-27-19-23(37)14-16-31(27)40-34(24)29;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;/h2-14,16-19H,1H3;6-9,11-13H,1-5H3;/q2*-1;/i;13D
• InChIKey: NOFQSOMBGOTSJH-LTBAMTPYSA-N
• XLogP: 14.58
• TPSA: 43.85 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1009.31
LogP ≤ 5	14.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-(8-fluorodibenzofuran-4-yl)-2-(1-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium?

The IUPAC name of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-(8-fluorodibenzofuran-4-yl)-2-(1-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium (CID 156659083) is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-(8-fluorodibenzofuran-4-yl)-2-(1-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium.

What is the SMILES notation for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-(8-fluorodibenzofuran-4-yl)-2-(1-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium?

The canonical SMILES for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-(8-fluorodibenzofuran-4-yl)-2-(1-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium is Cc1c[c-]c(-c2nc3cc4ccccc4cc3n2-c2cccc3c2oc2ccc(F)cc23)c2sc3ccccc3c12.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir].

What is the InChIKey of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-(8-fluorodibenzofuran-4-yl)-2-(1-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium?

The InChIKey is NOFQSOMBGOTSJH-LTBAMTPYSA-N. The full InChI is InChI=1S/C36H20FN2OS.C17H22NSi.Ir/c1-20-13-15-26(35-33(20)25-9-4-5-12-32(25)41-35)36-38-28-17-21-7-2-3-8-22(21)18-30(28)39(36)29-11-6-10-24-27-19-23(37)14-16-31(27)40-34(24)29;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;/h2-14,16-19H,1H3;6-9,11-13H,1-5H3;/q2*-1;/i;13D;.

What are the key properties of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-(8-fluorodibenzofuran-4-yl)-2-(1-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium?

[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-(8-fluorodibenzofuran-4-yl)-2-(1-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium has a molecular weight of 1009.31 g/mol, XLogP of 14.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-(8-fluorodibenzofuran-4-yl)-2-(1-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium is sourced from PubChem (CID 156659083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).