4-[cyclopentyl(dideuterio)methyl]-2-(3H-dibenzofuran-3-id-2-yl)pyridine;[6-[7-(1-deuterio-1-phenylethyl)-3H-dibenzofuran-3-id-4-yl]-4-(2-deuteriopropan-2-yl)-3-pyridinyl]-trimethylsilane;iridium

C54H52IrN2O2Si-2 — CID 162707946

About 4-[cyclopentyl(dideuterio)methyl]-2-(3H-dibenzofuran-3-id-2-yl)pyridine;[6-[7-(1-deuterio-1-phenylethyl)-3H-dibenzofuran-3-id-4-yl]-4-(2-deuteriopropan-2-yl)-3-pyridinyl]-trimethylsilane;iridium

4-[cyclopentyl(dideuterio)methyl]-2-(3H-dibenzofuran-3-id-2-yl)pyridine;[6-[7-(1-deuterio-1-phenylethyl)-3H-dibenzofuran-3-id-4-yl]-4-(2-deuteriopropan-2-yl)-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 162707946) has the molecular formula C54H52IrN2O2Si-2 and a molecular weight of 985.35 g/mol. Its IUPAC name is 4-[cyclopentyl(dideuterio)methyl]-2-(3H-dibenzofuran-3-id-2-yl)pyridine;[6-[7-(1-deuterio-1-phenylethyl)-3H-dibenzofuran-3-id-4-yl]-4-(2-deuteriopropan-2-yl)-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: 4-[cyclopentyl(dideuterio)methyl]-2-(3H-dibenzofuran-3-id-2-yl)pyridine;[6-[7-(1-deuterio-1-phenylethyl)-3H-dibenzofuran-3-id-4-yl]-4-(2-deuteriopropan-2-yl)-3-pyridinyl]-trimethylsilane;iridium
• PubChem CID: 162707946
• Molecular Formula: C54H52IrN2O2Si-2
• Molecular Weight: 985.35 g/mol
• Exact Mass: 985.37
• IUPAC Name: 4-[cyclopentyl(dideuterio)methyl]-2-(3H-dibenzofuran-3-id-2-yl)pyridine;[6-[7-(1-deuterio-1-phenylethyl)-3H-dibenzofuran-3-id-4-yl]-4-(2-deuteriopropan-2-yl)-3-pyridinyl]-trimethylsilane;iridium
• SMILES: [2H]C(C)(C)c1cc(-c2[c-]ccc3c2oc2cc(C([2H])(C)c4ccccc4)ccc23)ncc1[Si](C)(C)C.[2H]C([2H])(c1ccnc(-c2[c-]cc3oc4ccccc4c3c2)c1)C1CCCC1.[Ir]
• InChI: InChI=1S/C31H32NOSi.C23H20NO.Ir/c1-20(2)27-18-28(32-19-30(27)34(4,5)6)26-14-10-13-25-24-16-15-23(17-29(24)33-31(25)26)21(3)22-11-8-7-9-12-22;1-2-6-16(5-1)13-17-11-12-24-21(14-17)18-9-10-23-20(15-18)19-7-3-4-8-22(19)25-23;/h7-13,15-21H,1-6H3;3-4,7-8,10-12,14-16H,1-2,5-6,13H2;/q2*-1;/i20D,21D;13D2
• InChIKey: OLPTZLIQPHKUBU-SNFQOTGCSA-N
• XLogP: 14.45
• TPSA: 52.06 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	985.35
LogP ≤ 5	14.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-[cyclopentyl(dideuterio)methyl]-2-(3H-dibenzofuran-3-id-2-yl)pyridine;[6-[7-(1-deuterio-1-phenylethyl)-3H-dibenzofuran-3-id-4-yl]-4-(2-deuteriopropan-2-yl)-3-pyridinyl]-trimethylsilane;iridium?

The IUPAC name of 4-[cyclopentyl(dideuterio)methyl]-2-(3H-dibenzofuran-3-id-2-yl)pyridine;[6-[7-(1-deuterio-1-phenylethyl)-3H-dibenzofuran-3-id-4-yl]-4-(2-deuteriopropan-2-yl)-3-pyridinyl]-trimethylsilane;iridium (CID 162707946) is 4-[cyclopentyl(dideuterio)methyl]-2-(3H-dibenzofuran-3-id-2-yl)pyridine;[6-[7-(1-deuterio-1-phenylethyl)-3H-dibenzofuran-3-id-4-yl]-4-(2-deuteriopropan-2-yl)-3-pyridinyl]-trimethylsilane;iridium.

What is the SMILES notation for 4-[cyclopentyl(dideuterio)methyl]-2-(3H-dibenzofuran-3-id-2-yl)pyridine;[6-[7-(1-deuterio-1-phenylethyl)-3H-dibenzofuran-3-id-4-yl]-4-(2-deuteriopropan-2-yl)-3-pyridinyl]-trimethylsilane;iridium?

The canonical SMILES for 4-[cyclopentyl(dideuterio)methyl]-2-(3H-dibenzofuran-3-id-2-yl)pyridine;[6-[7-(1-deuterio-1-phenylethyl)-3H-dibenzofuran-3-id-4-yl]-4-(2-deuteriopropan-2-yl)-3-pyridinyl]-trimethylsilane;iridium is [2H]C(C)(C)c1cc(-c2[c-]ccc3c2oc2cc(C([2H])(C)c4ccccc4)ccc23)ncc1[Si](C)(C)C.[2H]C([2H])(c1ccnc(-c2[c-]cc3oc4ccccc4c3c2)c1)C1CCCC1.[Ir].

What is the InChIKey of 4-[cyclopentyl(dideuterio)methyl]-2-(3H-dibenzofuran-3-id-2-yl)pyridine;[6-[7-(1-deuterio-1-phenylethyl)-3H-dibenzofuran-3-id-4-yl]-4-(2-deuteriopropan-2-yl)-3-pyridinyl]-trimethylsilane;iridium?

The InChIKey is OLPTZLIQPHKUBU-SNFQOTGCSA-N. The full InChI is InChI=1S/C31H32NOSi.C23H20NO.Ir/c1-20(2)27-18-28(32-19-30(27)34(4,5)6)26-14-10-13-25-24-16-15-23(17-29(24)33-31(25)26)21(3)22-11-8-7-9-12-22;1-2-6-16(5-1)13-17-11-12-24-21(14-17)18-9-10-23-20(15-18)19-7-3-4-8-22(19)25-23;/h7-13,15-21H,1-6H3;3-4,7-8,10-12,14-16H,1-2,5-6,13H2;/q2*-1;/i20D,21D;13D2;.

What are the key properties of 4-[cyclopentyl(dideuterio)methyl]-2-(3H-dibenzofuran-3-id-2-yl)pyridine;[6-[7-(1-deuterio-1-phenylethyl)-3H-dibenzofuran-3-id-4-yl]-4-(2-deuteriopropan-2-yl)-3-pyridinyl]-trimethylsilane;iridium?

4-[cyclopentyl(dideuterio)methyl]-2-(3H-dibenzofuran-3-id-2-yl)pyridine;[6-[7-(1-deuterio-1-phenylethyl)-3H-dibenzofuran-3-id-4-yl]-4-(2-deuteriopropan-2-yl)-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 985.35 g/mol, XLogP of 14.45, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[cyclopentyl(dideuterio)methyl]-2-(3H-dibenzofuran-3-id-2-yl)pyridine;[6-[7-(1-deuterio-1-phenylethyl)-3H-dibenzofuran-3-id-4-yl]-4-(2-deuteriopropan-2-yl)-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 162707946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).