4-[5-[cyclopentyl(dideuterio)methyl]-4-(trideuteriomethyl)-2-pyridinyl]-7-phenyl-3H-dibenzofuran-3-ide-1-carbonitrile;4-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-trimethylgermyl-2-pyridinyl]benzene-5-ide-1-carbonitrile;iridium

C51H50GeIrN4O-2 — CID 155612757

About 4-[5-[cyclopentyl(dideuterio)methyl]-4-(trideuteriomethyl)-2-pyridinyl]-7-phenyl-3H-dibenzofuran-3-ide-1-carbonitrile;4-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-trimethylgermyl-2-pyridinyl]benzene-5-ide-1-carbonitrile;iridium

4-[5-[cyclopentyl(dideuterio)methyl]-4-(trideuteriomethyl)-2-pyridinyl]-7-phenyl-3H-dibenzofuran-3-ide-1-carbonitrile;4-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-trimethylgermyl-2-pyridinyl]benzene-5-ide-1-carbonitrile;iridium (PubChem CID 155612757) has the molecular formula C51H50GeIrN4O-2 and a molecular weight of 1006.86 g/mol. Its IUPAC name is 4-[5-[cyclopentyl(dideuterio)methyl]-4-(trideuteriomethyl)-2-pyridinyl]-7-phenyl-3H-dibenzofuran-3-ide-1-carbonitrile;4-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-trimethylgermyl-2-pyridinyl]benzene-5-ide-1-carbonitrile;iridium.

Molecular Properties

• Compound Name: 4-[5-[cyclopentyl(dideuterio)methyl]-4-(trideuteriomethyl)-2-pyridinyl]-7-phenyl-3H-dibenzofuran-3-ide-1-carbonitrile;4-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-trimethylgermyl-2-pyridinyl]benzene-5-ide-1-carbonitrile;iridium
• PubChem CID: 155612757
• Molecular Formula: C51H50GeIrN4O-2
• Molecular Weight: 1006.86 g/mol
• Exact Mass: 1008.33
• IUPAC Name: 4-[5-[cyclopentyl(dideuterio)methyl]-4-(trideuteriomethyl)-2-pyridinyl]-7-phenyl-3H-dibenzofuran-3-ide-1-carbonitrile;4-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-trimethylgermyl-2-pyridinyl]benzene-5-ide-1-carbonitrile;iridium
• SMILES: [2H]C([2H])([2H])c1cc(-c2[c-]cc(C#N)c3c2oc2cc(-c4ccccc4)ccc23)ncc1C([2H])([2H])C1CCCC1.[2H]C([2H])(c1cc(-c2[c-]cc(C#N)cc2)ncc1[Ge](C)(C)C)C(C)(C)C.[Ir]
• InChI: InChI=1S/C31H25N2O.C20H25GeN2.Ir/c1-20-15-28(33-19-25(20)16-21-7-5-6-8-21)26-13-12-24(18-32)30-27-14-11-23(17-29(27)34-31(26)30)22-9-3-2-4-10-22;1-20(2,3)12-17-11-19(23-14-18(17)21(4,5)6)16-9-7-15(13-22)8-10-16;/h2-4,9-12,14-15,17,19,21H,5-8,16H2,1H3;7-9,11,14H,12H2,1-6H3;/q2*-1;/i1D3,16D2;12D2
• InChIKey: PZFCYOQTVNGYFH-UFCWISJISA-N
• XLogP: 12.58
• TPSA: 86.50 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1006.86
LogP ≤ 5	12.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[5-[cyclopentyl(dideuterio)methyl]-4-(trideuteriomethyl)-2-pyridinyl]-7-phenyl-3H-dibenzofuran-3-ide-1-carbonitrile;4-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-trimethylgermyl-2-pyridinyl]benzene-5-ide-1-carbonitrile;iridium?

The IUPAC name of 4-[5-[cyclopentyl(dideuterio)methyl]-4-(trideuteriomethyl)-2-pyridinyl]-7-phenyl-3H-dibenzofuran-3-ide-1-carbonitrile;4-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-trimethylgermyl-2-pyridinyl]benzene-5-ide-1-carbonitrile;iridium (CID 155612757) is 4-[5-[cyclopentyl(dideuterio)methyl]-4-(trideuteriomethyl)-2-pyridinyl]-7-phenyl-3H-dibenzofuran-3-ide-1-carbonitrile;4-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-trimethylgermyl-2-pyridinyl]benzene-5-ide-1-carbonitrile;iridium.

What is the SMILES notation for 4-[5-[cyclopentyl(dideuterio)methyl]-4-(trideuteriomethyl)-2-pyridinyl]-7-phenyl-3H-dibenzofuran-3-ide-1-carbonitrile;4-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-trimethylgermyl-2-pyridinyl]benzene-5-ide-1-carbonitrile;iridium?

The canonical SMILES for 4-[5-[cyclopentyl(dideuterio)methyl]-4-(trideuteriomethyl)-2-pyridinyl]-7-phenyl-3H-dibenzofuran-3-ide-1-carbonitrile;4-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-trimethylgermyl-2-pyridinyl]benzene-5-ide-1-carbonitrile;iridium is [2H]C([2H])([2H])c1cc(-c2[c-]cc(C#N)c3c2oc2cc(-c4ccccc4)ccc23)ncc1C([2H])([2H])C1CCCC1.[2H]C([2H])(c1cc(-c2[c-]cc(C#N)cc2)ncc1[Ge](C)(C)C)C(C)(C)C.[Ir].

What is the InChIKey of 4-[5-[cyclopentyl(dideuterio)methyl]-4-(trideuteriomethyl)-2-pyridinyl]-7-phenyl-3H-dibenzofuran-3-ide-1-carbonitrile;4-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-trimethylgermyl-2-pyridinyl]benzene-5-ide-1-carbonitrile;iridium?

The InChIKey is PZFCYOQTVNGYFH-UFCWISJISA-N. The full InChI is InChI=1S/C31H25N2O.C20H25GeN2.Ir/c1-20-15-28(33-19-25(20)16-21-7-5-6-8-21)26-13-12-24(18-32)30-27-14-11-23(17-29(27)34-31(26)30)22-9-3-2-4-10-22;1-20(2,3)12-17-11-19(23-14-18(17)21(4,5)6)16-9-7-15(13-22)8-10-16;/h2-4,9-12,14-15,17,19,21H,5-8,16H2,1H3;7-9,11,14H,12H2,1-6H3;/q2*-1;/i1D3,16D2;12D2;.

What are the key properties of 4-[5-[cyclopentyl(dideuterio)methyl]-4-(trideuteriomethyl)-2-pyridinyl]-7-phenyl-3H-dibenzofuran-3-ide-1-carbonitrile;4-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-trimethylgermyl-2-pyridinyl]benzene-5-ide-1-carbonitrile;iridium?

4-[5-[cyclopentyl(dideuterio)methyl]-4-(trideuteriomethyl)-2-pyridinyl]-7-phenyl-3H-dibenzofuran-3-ide-1-carbonitrile;4-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-trimethylgermyl-2-pyridinyl]benzene-5-ide-1-carbonitrile;iridium has a molecular weight of 1006.86 g/mol, XLogP of 12.58, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[cyclopentyl(dideuterio)methyl]-4-(trideuteriomethyl)-2-pyridinyl]-7-phenyl-3H-dibenzofuran-3-ide-1-carbonitrile;4-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-trimethylgermyl-2-pyridinyl]benzene-5-ide-1-carbonitrile;iridium is sourced from PubChem (CID 155612757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).