4-[cyclohexyl(dideuterio)methyl]-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3,4-diphenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium

C56H50GeIrN2O-2 — CID 171435687

About 4-[cyclohexyl(dideuterio)methyl]-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3,4-diphenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium

4-[cyclohexyl(dideuterio)methyl]-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3,4-diphenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium (PubChem CID 171435687) has the molecular formula C56H50GeIrN2O-2 and a molecular weight of 1033.87 g/mol. Its IUPAC name is 4-[cyclohexyl(dideuterio)methyl]-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3,4-diphenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium.

Molecular Properties

• Compound Name: 4-[cyclohexyl(dideuterio)methyl]-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3,4-diphenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium
• PubChem CID: 171435687
• Molecular Formula: C56H50GeIrN2O-2
• Molecular Weight: 1033.87 g/mol
• Exact Mass: 1035.29
• IUPAC Name: 4-[cyclohexyl(dideuterio)methyl]-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3,4-diphenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium
• SMILES: C[Ge](C)(C)c1ccc(-c2[c-]cc(-c3ccccc3)c(-c3ccccc3)c2)nc1.[2H]C([2H])(c1ccnc(-c2[c-]ccc3c2oc2ccc(-c4ccccc4)cc23)c1)C1CCCCC1.[Ir]
• InChI: InChI=1S/C30H26NO.C26H24GeN.Ir/c1-3-8-21(9-4-1)18-22-16-17-31-28(19-22)26-13-7-12-25-27-20-24(23-10-5-2-6-11-23)14-15-29(27)32-30(25)26;1-27(2,3)23-15-17-26(28-19-23)22-14-16-24(20-10-6-4-7-11-20)25(18-22)21-12-8-5-9-13-21;/h2,5-7,10-12,14-17,19-21H,1,3-4,8-9,18H2;4-13,15-19H,1-3H3;/q2*-1;/i18D2
• InChIKey: CHIMVRMFBNZQLU-SBZCUTMTSA-N
• XLogP: 14.66
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1033.87
LogP ≤ 5	14.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(dideuterio)methyl]-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3,4-diphenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium?

The IUPAC name of 4-[cyclohexyl(dideuterio)methyl]-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3,4-diphenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium (CID 171435687) is 4-[cyclohexyl(dideuterio)methyl]-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3,4-diphenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium.

What is the SMILES notation for 4-[cyclohexyl(dideuterio)methyl]-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3,4-diphenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium?

The canonical SMILES for 4-[cyclohexyl(dideuterio)methyl]-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3,4-diphenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium is C[Ge](C)(C)c1ccc(-c2[c-]cc(-c3ccccc3)c(-c3ccccc3)c2)nc1.[2H]C([2H])(c1ccnc(-c2[c-]ccc3c2oc2ccc(-c4ccccc4)cc23)c1)C1CCCCC1.[Ir].

What is the InChIKey of 4-[cyclohexyl(dideuterio)methyl]-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3,4-diphenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium?

The InChIKey is CHIMVRMFBNZQLU-SBZCUTMTSA-N. The full InChI is InChI=1S/C30H26NO.C26H24GeN.Ir/c1-3-8-21(9-4-1)18-22-16-17-31-28(19-22)26-13-7-12-25-27-20-24(23-10-5-2-6-11-23)14-15-29(27)32-30(25)26;1-27(2,3)23-15-17-26(28-19-23)22-14-16-24(20-10-6-4-7-11-20)25(18-22)21-12-8-5-9-13-21;/h2,5-7,10-12,14-17,19-21H,1,3-4,8-9,18H2;4-13,15-19H,1-3H3;/q2*-1;/i18D2;;.

What are the key properties of 4-[cyclohexyl(dideuterio)methyl]-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3,4-diphenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium?

4-[cyclohexyl(dideuterio)methyl]-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3,4-diphenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium has a molecular weight of 1033.87 g/mol, XLogP of 14.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[cyclohexyl(dideuterio)methyl]-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3,4-diphenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium is sourced from PubChem (CID 171435687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).