[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-[3-(4-fluoro-2,6-dimethylphenyl)phenanthro[9,10-d]imidazol-2-yl]-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium

C59H50F2IrN4OSi-2 — CID 156672282

About [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-[3-(4-fluoro-2,6-dimethylphenyl)phenanthro[9,10-d]imidazol-2-yl]-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium

[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-[3-(4-fluoro-2,6-dimethylphenyl)phenanthro[9,10-d]imidazol-2-yl]-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (PubChem CID 156672282) has the molecular formula C59H50F2IrN4OSi-2 and a molecular weight of 1093.40 g/mol. Its IUPAC name is [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-[3-(4-fluoro-2,6-dimethylphenyl)phenanthro[9,10-d]imidazol-2-yl]-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium.

Molecular Properties

• Compound Name: [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-[3-(4-fluoro-2,6-dimethylphenyl)phenanthro[9,10-d]imidazol-2-yl]-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
• PubChem CID: 156672282
• Molecular Formula: C59H50F2IrN4OSi-2
• Molecular Weight: 1093.40 g/mol
• Exact Mass: 1093.36
• IUPAC Name: [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-[3-(4-fluoro-2,6-dimethylphenyl)phenanthro[9,10-d]imidazol-2-yl]-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
• SMILES: Cc1cc(F)cc(C)c1-n1c(-c2[c-]cc(C)c3c2oc2nc(-c4ccccc4)ccc23)nc2c3ccccc3c3ccccc3c21.[2H]C([2H])([2H])c1cc[c-]c(-c2cc(C([2H])(C)C)c([Si](C)(C)C)cn2)c1F.[Ir]
• InChI: InChI=1S/C41H27FN3O.C18H23FNSi.Ir/c1-23-17-18-33(39-35(23)32-19-20-34(43-41(32)46-39)26-11-5-4-6-12-26)40-44-36-30-15-9-7-13-28(30)29-14-8-10-16-31(29)38(36)45(40)37-24(2)21-27(42)22-25(37)3;1-12(2)15-10-16(20-11-17(15)21(4,5)6)14-9-7-8-13(3)18(14)19;/h4-17,19-22H,1-3H3;7-8,10-12H,1-6H3;/q2*-1;/i;3D3,12D
• InChIKey: JMOLXZMTXLBHOS-KAULTNGISA-N
• XLogP: 15.49
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1093.40
LogP ≤ 5	15.49
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-[3-(4-fluoro-2,6-dimethylphenyl)phenanthro[9,10-d]imidazol-2-yl]-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The IUPAC name of [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-[3-(4-fluoro-2,6-dimethylphenyl)phenanthro[9,10-d]imidazol-2-yl]-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (CID 156672282) is [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-[3-(4-fluoro-2,6-dimethylphenyl)phenanthro[9,10-d]imidazol-2-yl]-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium.

What is the SMILES notation for [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-[3-(4-fluoro-2,6-dimethylphenyl)phenanthro[9,10-d]imidazol-2-yl]-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The canonical SMILES for [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-[3-(4-fluoro-2,6-dimethylphenyl)phenanthro[9,10-d]imidazol-2-yl]-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium is Cc1cc(F)cc(C)c1-n1c(-c2[c-]cc(C)c3c2oc2nc(-c4ccccc4)ccc23)nc2c3ccccc3c3ccccc3c21.[2H]C([2H])([2H])c1cc[c-]c(-c2cc(C([2H])(C)C)c([Si](C)(C)C)cn2)c1F.[Ir].

What is the InChIKey of [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-[3-(4-fluoro-2,6-dimethylphenyl)phenanthro[9,10-d]imidazol-2-yl]-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The InChIKey is JMOLXZMTXLBHOS-KAULTNGISA-N. The full InChI is InChI=1S/C41H27FN3O.C18H23FNSi.Ir/c1-23-17-18-33(39-35(23)32-19-20-34(43-41(32)46-39)26-11-5-4-6-12-26)40-44-36-30-15-9-7-13-28(30)29-14-8-10-16-31(29)38(36)45(40)37-24(2)21-27(42)22-25(37)3;1-12(2)15-10-16(20-11-17(15)21(4,5)6)14-9-7-8-13(3)18(14)19;/h4-17,19-22H,1-3H3;7-8,10-12H,1-6H3;/q2*-1;/i;3D3,12D;.

What are the key properties of [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-[3-(4-fluoro-2,6-dimethylphenyl)phenanthro[9,10-d]imidazol-2-yl]-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-[3-(4-fluoro-2,6-dimethylphenyl)phenanthro[9,10-d]imidazol-2-yl]-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium has a molecular weight of 1093.40 g/mol, XLogP of 15.49, 7 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-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-[3-(4-fluoro-2,6-dimethylphenyl)phenanthro[9,10-d]imidazol-2-yl]-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium is sourced from PubChem (CID 156672282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).