[6-[3-(1-deuteriocyclohexyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium;5-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine

C47H48GeIrN2O-2 — CID 171435943

About [6-[3-(1-deuteriocyclohexyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium;5-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine

[6-[3-(1-deuteriocyclohexyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium;5-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine (PubChem CID 171435943) has the molecular formula C47H48GeIrN2O-2 and a molecular weight of 922.75 g/mol. Its IUPAC name is [6-[3-(1-deuteriocyclohexyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium;5-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine.

Molecular Properties

• Compound Name: [6-[3-(1-deuteriocyclohexyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium;5-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine
• PubChem CID: 171435943
• Molecular Formula: C47H48GeIrN2O-2
• Molecular Weight: 922.75 g/mol
• Exact Mass: 924.27
• IUPAC Name: [6-[3-(1-deuteriocyclohexyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium;5-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine
• SMILES: Cc1cnc(-c2[c-]cc3oc4cc(-c5ccccc5)ccc4c3c2)cc1C(C)C.[2H]C1(c2cc[c-]c(-c3ccc([Ge](C)(C)C)cn3)c2)CCCCC1.[Ir]
• InChI: InChI=1S/C27H22NO.C20H26GeN.Ir/c1-17(2)23-15-25(28-16-18(23)3)21-10-12-26-24(13-21)22-11-9-20(14-27(22)29-26)19-7-5-4-6-8-19;1-21(2,3)19-12-13-20(22-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;/h4-9,11-17H,1-3H3;7,10,12-16H,4-6,8-9H2,1-3H3;/q2*-1;/i;16D
• InChIKey: MVLULCWEYJCEHP-IAWZRPOVSA-N
• XLogP: 12.69
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	922.75
LogP ≤ 5	12.69
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 [6-[3-(1-deuteriocyclohexyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium;5-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine?

The IUPAC name of [6-[3-(1-deuteriocyclohexyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium;5-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine (CID 171435943) is [6-[3-(1-deuteriocyclohexyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium;5-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine.

What is the SMILES notation for [6-[3-(1-deuteriocyclohexyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium;5-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine?

The canonical SMILES for [6-[3-(1-deuteriocyclohexyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium;5-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine is Cc1cnc(-c2[c-]cc3oc4cc(-c5ccccc5)ccc4c3c2)cc1C(C)C.[2H]C1(c2cc[c-]c(-c3ccc([Ge](C)(C)C)cn3)c2)CCCCC1.[Ir].

What is the InChIKey of [6-[3-(1-deuteriocyclohexyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium;5-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine?

The InChIKey is MVLULCWEYJCEHP-IAWZRPOVSA-N. The full InChI is InChI=1S/C27H22NO.C20H26GeN.Ir/c1-17(2)23-15-25(28-16-18(23)3)21-10-12-26-24(13-21)22-11-9-20(14-27(22)29-26)19-7-5-4-6-8-19;1-21(2,3)19-12-13-20(22-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;/h4-9,11-17H,1-3H3;7,10,12-16H,4-6,8-9H2,1-3H3;/q2*-1;/i;16D;.

What are the key properties of [6-[3-(1-deuteriocyclohexyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium;5-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine?

[6-[3-(1-deuteriocyclohexyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium;5-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine has a molecular weight of 922.75 g/mol, XLogP of 12.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[3-(1-deuteriocyclohexyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium;5-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine is sourced from PubChem (CID 171435943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).