[4-(1,1-dideuterio-2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;9-fluoro-4-[1-(1-methyldibenzofuran-4-yl)benzimidazol-2-yl]-3H-[1]benzofuro[2,3-b]quinolin-3-ide;iridium

C₅₄H₄₅FGeIrN₄O₂-2 — CID 156669565

About [4-(1,1-dideuterio-2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;9-fluoro-4-[1-(1-methyldibenzofuran-4-yl)benzimidazol-2-yl]-3H-[1]benzofuro[2,3-b]quinolin-3-ide;iridium

[4-(1,1-dideuterio-2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;9-fluoro-4-[1-(1-methyldibenzofuran-4-yl)benzimidazol-2-yl]-3H-[1]benzofuro[2,3-b]quinolin-3-ide;iridium (PubChem CID 156669565) has the molecular formula C₅₄H₄₅FGeIrN₄O₂-2 and a molecular weight of 1070.84 g/mol. Its IUPAC name is [4-(1,1-dideuterio-2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;9-fluoro-4-[1-(1-methyldibenzofuran-4-yl)benzimidazol-2-yl]-3H-[1]benzofuro[2,3-b]quinolin-3-ide;iridium.

Molecular Properties

• Compound Name: [4-(1,1-dideuterio-2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;9-fluoro-4-[1-(1-methyldibenzofuran-4-yl)benzimidazol-2-yl]-3H-[1]benzofuro[2,3-b]quinolin-3-ide;iridium
• PubChem CID: 156669565
• Molecular Formula: C₅₄H₄₅FGeIrN₄O₂-2
• Molecular Weight: 1070.84 g/mol
• Exact Mass: 1072.27
• IUPAC Name: [4-(1,1-dideuterio-2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;9-fluoro-4-[1-(1-methyldibenzofuran-4-yl)benzimidazol-2-yl]-3H-[1]benzofuro[2,3-b]quinolin-3-ide;iridium
• SMILES: Cc1ccc(-n2c(-c3[c-]ccc4c3oc3nc5ccc(F)cc5cc34)nc3ccccc32)c2oc3ccccc3c12.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])C(C)C)c([Ge](C)(C)C)cn2)cc1.[Ir]
• InChI: InChI=1S/C35H19FN3O2.C19H26GeN.Ir/c1-19-13-16-29(33-31(19)23-7-2-5-12-30(23)40-33)39-28-11-4-3-10-27(28)37-34(39)24-9-6-8-22-25-18-20-17-21(36)14-15-26(20)38-35(25)41-32(22)24;1-14(2)11-17-12-19(16-9-7-15(3)8-10-16)21-13-18(17)20(4,5)6;/h2-8,10-18H,1H3;7-9,12-14H,11H2,1-6H3;/q2*-1;/i;3D3,11D2
• InChIKey: MTGIPPLDZCVKNH-ULMMDMJCSA-N
• XLogP: 13.89
• TPSA: 69.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1070.84
LogP ≤ 5	13.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-(1,1-dideuterio-2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;9-fluoro-4-[1-(1-methyldibenzofuran-4-yl)benzimidazol-2-yl]-3H-[1]benzofuro[2,3-b]quinolin-3-ide;iridium?

The IUPAC name of [4-(1,1-dideuterio-2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;9-fluoro-4-[1-(1-methyldibenzofuran-4-yl)benzimidazol-2-yl]-3H-[1]benzofuro[2,3-b]quinolin-3-ide;iridium (CID 156669565) is [4-(1,1-dideuterio-2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;9-fluoro-4-[1-(1-methyldibenzofuran-4-yl)benzimidazol-2-yl]-3H-[1]benzofuro[2,3-b]quinolin-3-ide;iridium.

What is the SMILES notation for [4-(1,1-dideuterio-2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;9-fluoro-4-[1-(1-methyldibenzofuran-4-yl)benzimidazol-2-yl]-3H-[1]benzofuro[2,3-b]quinolin-3-ide;iridium?

The canonical SMILES for [4-(1,1-dideuterio-2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;9-fluoro-4-[1-(1-methyldibenzofuran-4-yl)benzimidazol-2-yl]-3H-[1]benzofuro[2,3-b]quinolin-3-ide;iridium is Cc1ccc(-n2c(-c3[c-]ccc4c3oc3nc5ccc(F)cc5cc34)nc3ccccc32)c2oc3ccccc3c12.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])C(C)C)c([Ge](C)(C)C)cn2)cc1.[Ir].

What is the InChIKey of [4-(1,1-dideuterio-2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;9-fluoro-4-[1-(1-methyldibenzofuran-4-yl)benzimidazol-2-yl]-3H-[1]benzofuro[2,3-b]quinolin-3-ide;iridium?

The InChIKey is MTGIPPLDZCVKNH-ULMMDMJCSA-N. The full InChI is InChI=1S/C35H19FN3O2.C19H26GeN.Ir/c1-19-13-16-29(33-31(19)23-7-2-5-12-30(23)40-33)39-28-11-4-3-10-27(28)37-34(39)24-9-6-8-22-25-18-20-17-21(36)14-15-26(20)38-35(25)41-32(22)24;1-14(2)11-17-12-19(16-9-7-15(3)8-10-16)21-13-18(17)20(4,5)6;/h2-8,10-18H,1H3;7-9,12-14H,11H2,1-6H3;/q2*-1;/i;3D3,11D2;.

What are the key properties of [4-(1,1-dideuterio-2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;9-fluoro-4-[1-(1-methyldibenzofuran-4-yl)benzimidazol-2-yl]-3H-[1]benzofuro[2,3-b]quinolin-3-ide;iridium?

[4-(1,1-dideuterio-2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;9-fluoro-4-[1-(1-methyldibenzofuran-4-yl)benzimidazol-2-yl]-3H-[1]benzofuro[2,3-b]quinolin-3-ide;iridium has a molecular weight of 1070.84 g/mol, XLogP of 13.89, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(1,1-dideuterio-2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;9-fluoro-4-[1-(1-methyldibenzofuran-4-yl)benzimidazol-2-yl]-3H-[1]benzofuro[2,3-b]quinolin-3-ide;iridium is sourced from PubChem (CID 156669565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156669565 — identifiers, structure, computed properties (public domain)

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