[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium;2-methyl-7-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-6H-[1]benzofuro[2,3-b]pyridin-6-ide

C56H57FIrN4OSi-2 — CID 156668192

About [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium;2-methyl-7-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-6H-[1]benzofuro[2,3-b]pyridin-6-ide

[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium;2-methyl-7-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-6H-[1]benzofuro[2,3-b]pyridin-6-ide (PubChem CID 156668192) has the molecular formula C56H57FIrN4OSi-2 and a molecular weight of 1045.42 g/mol. Its IUPAC name is [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium;2-methyl-7-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-6H-[1]benzofuro[2,3-b]pyridin-6-ide.

Molecular Properties

• Compound Name: [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium;2-methyl-7-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-6H-[1]benzofuro[2,3-b]pyridin-6-ide
• PubChem CID: 156668192
• Molecular Formula: C56H57FIrN4OSi-2
• Molecular Weight: 1045.42 g/mol
• Exact Mass: 1045.42
• IUPAC Name: [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium;2-methyl-7-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-6H-[1]benzofuro[2,3-b]pyridin-6-ide
• SMILES: Cc1ccc2c(n1)oc1cc(-c3nc4ccccc4n3Cc3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)[c-]cc12.[2H]C([2H])([2H])c1cc[c-]c(-c2cc(C([2H])(C)C)c([Si](C)(C)C)cn2)c1F.[Ir]
• InChI: InChI=1S/C38H34N3O.C18H23FNSi.Ir/c1-23(2)31-19-28(26-11-7-6-8-12-26)20-32(24(3)4)33(31)22-41-35-14-10-9-13-34(35)40-37(41)27-16-18-29-30-17-15-25(5)39-38(30)42-36(29)21-27;1-12(2)15-10-16(20-11-17(15)21(4,5)6)14-9-7-8-13(3)18(14)19;/h6-15,17-21,23-24H,22H2,1-5H3;7-8,10-12H,1-6H3;/q2*-1;/i;3D3,12D
• InChIKey: NNWSGMZVDCJNPO-KAULTNGISA-N
• XLogP: 14.73
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1045.42
LogP ≤ 5	14.73
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-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium;2-methyl-7-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-6H-[1]benzofuro[2,3-b]pyridin-6-ide?

The IUPAC name of [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium;2-methyl-7-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-6H-[1]benzofuro[2,3-b]pyridin-6-ide (CID 156668192) is [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium;2-methyl-7-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-6H-[1]benzofuro[2,3-b]pyridin-6-ide.

What is the SMILES notation for [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium;2-methyl-7-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-6H-[1]benzofuro[2,3-b]pyridin-6-ide?

The canonical SMILES for [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium;2-methyl-7-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-6H-[1]benzofuro[2,3-b]pyridin-6-ide is Cc1ccc2c(n1)oc1cc(-c3nc4ccccc4n3Cc3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)[c-]cc12.[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;iridium;2-methyl-7-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-6H-[1]benzofuro[2,3-b]pyridin-6-ide?

The InChIKey is NNWSGMZVDCJNPO-KAULTNGISA-N. The full InChI is InChI=1S/C38H34N3O.C18H23FNSi.Ir/c1-23(2)31-19-28(26-11-7-6-8-12-26)20-32(24(3)4)33(31)22-41-35-14-10-9-13-34(35)40-37(41)27-16-18-29-30-17-15-25(5)39-38(30)42-36(29)21-27;1-12(2)15-10-16(20-11-17(15)21(4,5)6)14-9-7-8-13(3)18(14)19;/h6-15,17-21,23-24H,22H2,1-5H3;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;iridium;2-methyl-7-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-6H-[1]benzofuro[2,3-b]pyridin-6-ide?

[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium;2-methyl-7-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-6H-[1]benzofuro[2,3-b]pyridin-6-ide has a molecular weight of 1045.42 g/mol, XLogP of 14.73, 10 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;iridium;2-methyl-7-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-6H-[1]benzofuro[2,3-b]pyridin-6-ide is sourced from PubChem (CID 156668192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).