4-[dideuterio(phenyl)methyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane

C45H38GeIrN2O-2 — CID 166574983

About 4-[dideuterio(phenyl)methyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane

4-[dideuterio(phenyl)methyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane (PubChem CID 166574983) has the molecular formula C45H38GeIrN2O-2 and a molecular weight of 892.67 g/mol. Its IUPAC name is 4-[dideuterio(phenyl)methyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane.

Molecular Properties

• Compound Name: 4-[dideuterio(phenyl)methyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
• PubChem CID: 166574983
• Molecular Formula: C45H38GeIrN2O-2
• Molecular Weight: 892.67 g/mol
• Exact Mass: 894.21
• IUPAC Name: 4-[dideuterio(phenyl)methyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
• SMILES: [2H]C([2H])([2H])c1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.[2H]C([2H])(c1ccccc1)c1ccnc(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)c1.[Ir]
• InChI: InChI=1S/C30H20NO.C15H18GeN.Ir/c1-3-8-21(9-4-1)18-22-16-17-31-28(19-22)27-13-7-12-26-25-15-14-24(20-29(25)32-30(26)27)23-10-5-2-6-11-23;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;/h1-12,14-17,19-20H,18H2;5-7,9-11H,1-4H3;/q2*-1;/i18D2;1D3
• InChIKey: DKEWCMKRRWZRQL-FLZCOZQPSA-N
• XLogP: 11.11
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	892.67
LogP ≤ 5	11.11
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-[dideuterio(phenyl)methyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

The IUPAC name of 4-[dideuterio(phenyl)methyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane (CID 166574983) is 4-[dideuterio(phenyl)methyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane.

What is the SMILES notation for 4-[dideuterio(phenyl)methyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

The canonical SMILES for 4-[dideuterio(phenyl)methyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane is [2H]C([2H])([2H])c1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.[2H]C([2H])(c1ccccc1)c1ccnc(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)c1.[Ir].

What is the InChIKey of 4-[dideuterio(phenyl)methyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

The InChIKey is DKEWCMKRRWZRQL-FLZCOZQPSA-N. The full InChI is InChI=1S/C30H20NO.C15H18GeN.Ir/c1-3-8-21(9-4-1)18-22-16-17-31-28(19-22)27-13-7-12-26-25-15-14-24(20-29(25)32-30(26)27)23-10-5-2-6-11-23;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;/h1-12,14-17,19-20H,18H2;5-7,9-11H,1-4H3;/q2*-1;/i18D2;1D3;.

What are the key properties of 4-[dideuterio(phenyl)methyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

4-[dideuterio(phenyl)methyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane has a molecular weight of 892.67 g/mol, XLogP of 11.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[dideuterio(phenyl)methyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane is sourced from PubChem (CID 166574983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).