[4-[dideuterio(phenyl)methyl]-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;5-fluoro-8-[4-phenyl-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium

C51H42FGeIrN3O-2 — CID 177279398

About [4-[dideuterio(phenyl)methyl]-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;5-fluoro-8-[4-phenyl-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium

[4-[dideuterio(phenyl)methyl]-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;5-fluoro-8-[4-phenyl-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (PubChem CID 177279398) has the molecular formula C51H42FGeIrN3O-2 and a molecular weight of 1004.79 g/mol. Its IUPAC name is [4-[dideuterio(phenyl)methyl]-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;5-fluoro-8-[4-phenyl-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium.

Molecular Properties

• Compound Name: [4-[dideuterio(phenyl)methyl]-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;5-fluoro-8-[4-phenyl-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
• PubChem CID: 177279398
• Molecular Formula: C51H42FGeIrN3O-2
• Molecular Weight: 1004.79 g/mol
• Exact Mass: 1006.27
• IUPAC Name: [4-[dideuterio(phenyl)methyl]-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;5-fluoro-8-[4-phenyl-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
• SMILES: [2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(-c4ccccc4)c(C([2H])([2H])[2H])cn3)[c-]cc(F)c12.[2H]C([2H])(c1ccccc1)c1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Ge](C)(C)C.[Ir]
• InChI: InChI=1S/C27H26GeN.C24H16FN2O.Ir/c1-28(2,3)26-20-29-27(19-25(26)17-21-11-6-4-7-12-21)24-16-10-15-23(18-24)22-13-8-5-9-14-22;1-14-13-26-21(12-19(14)16-6-4-3-5-7-16)17-10-11-20(25)22-18-9-8-15(2)27-24(18)28-23(17)22;/h4-15,18-20H,17H2,1-3H3;3-9,11-13H,1-2H3;/q2*-1;/i17D2;1D3,2D3
• InChIKey: JVZBPBPFQLKPQX-YNJYZGFCSA-N
• XLogP: 12.62
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1004.79
LogP ≤ 5	12.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[dideuterio(phenyl)methyl]-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;5-fluoro-8-[4-phenyl-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The IUPAC name of [4-[dideuterio(phenyl)methyl]-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;5-fluoro-8-[4-phenyl-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (CID 177279398) is [4-[dideuterio(phenyl)methyl]-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;5-fluoro-8-[4-phenyl-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium.

What is the SMILES notation for [4-[dideuterio(phenyl)methyl]-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;5-fluoro-8-[4-phenyl-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The canonical SMILES for [4-[dideuterio(phenyl)methyl]-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;5-fluoro-8-[4-phenyl-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium is [2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(-c4ccccc4)c(C([2H])([2H])[2H])cn3)[c-]cc(F)c12.[2H]C([2H])(c1ccccc1)c1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Ge](C)(C)C.[Ir].

What is the InChIKey of [4-[dideuterio(phenyl)methyl]-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;5-fluoro-8-[4-phenyl-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The InChIKey is JVZBPBPFQLKPQX-YNJYZGFCSA-N. The full InChI is InChI=1S/C27H26GeN.C24H16FN2O.Ir/c1-28(2,3)26-20-29-27(19-25(26)17-21-11-6-4-7-12-21)24-16-10-15-23(18-24)22-13-8-5-9-14-22;1-14-13-26-21(12-19(14)16-6-4-3-5-7-16)17-10-11-20(25)22-18-9-8-15(2)27-24(18)28-23(17)22;/h4-15,18-20H,17H2,1-3H3;3-9,11-13H,1-2H3;/q2*-1;/i17D2;1D3,2D3;.

What are the key properties of [4-[dideuterio(phenyl)methyl]-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;5-fluoro-8-[4-phenyl-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

[4-[dideuterio(phenyl)methyl]-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;5-fluoro-8-[4-phenyl-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium has a molecular weight of 1004.79 g/mol, XLogP of 12.62, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[dideuterio(phenyl)methyl]-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;5-fluoro-8-[4-phenyl-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium is sourced from PubChem (CID 177279398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).