4-[dideuterio(phenyl)methyl]-2-(9H-phenanthro[1,2-b][1]benzofuran-9-id-10-yl)pyridine;[4-[dideuterio(phenyl)methyl]-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium

C54H44GeIrN2O-2 — CID 162708845

About 4-[dideuterio(phenyl)methyl]-2-(9H-phenanthro[1,2-b][1]benzofuran-9-id-10-yl)pyridine;[4-[dideuterio(phenyl)methyl]-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium

4-[dideuterio(phenyl)methyl]-2-(9H-phenanthro[1,2-b][1]benzofuran-9-id-10-yl)pyridine;[4-[dideuterio(phenyl)methyl]-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium (PubChem CID 162708845) has the molecular formula C54H44GeIrN2O-2 and a molecular weight of 1008.83 g/mol. Its IUPAC name is 4-[dideuterio(phenyl)methyl]-2-(9H-phenanthro[1,2-b][1]benzofuran-9-id-10-yl)pyridine;[4-[dideuterio(phenyl)methyl]-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium.

Molecular Properties

• Compound Name: 4-[dideuterio(phenyl)methyl]-2-(9H-phenanthro[1,2-b][1]benzofuran-9-id-10-yl)pyridine;[4-[dideuterio(phenyl)methyl]-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium
• PubChem CID: 162708845
• Molecular Formula: C54H44GeIrN2O-2
• Molecular Weight: 1008.83 g/mol
• Exact Mass: 1010.27
• IUPAC Name: 4-[dideuterio(phenyl)methyl]-2-(9H-phenanthro[1,2-b][1]benzofuran-9-id-10-yl)pyridine;[4-[dideuterio(phenyl)methyl]-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium
• SMILES: [2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])c3ccccc3)c([Ge](C)(C)C)cn2)cc1.[2H]C([2H])(c1ccccc1)c1ccnc(-c2[c-]ccc3c2oc2c3ccc3c4ccccc4ccc32)c1.[Ir]
• InChI: InChI=1S/C32H20NO.C22H24GeN.Ir/c1-2-7-21(8-3-1)19-22-17-18-33-30(20-22)29-12-6-11-26-28-16-15-25-24-10-5-4-9-23(24)13-14-27(25)31(28)34-32(26)29;1-17-10-12-19(13-11-17)22-15-20(14-18-8-6-5-7-9-18)21(16-24-22)23(2,3)4;/h1-11,13-18,20H,19H2;5-12,15-16H,14H2,1-4H3;/q2*-1;/i19D2;1D3,14D2
• InChIKey: KHZQIPBNUFVECM-HVQPKLFISA-N
• XLogP: 13.34
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1008.83
LogP ≤ 5	13.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[dideuterio(phenyl)methyl]-2-(9H-phenanthro[1,2-b][1]benzofuran-9-id-10-yl)pyridine;[4-[dideuterio(phenyl)methyl]-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium?

The IUPAC name of 4-[dideuterio(phenyl)methyl]-2-(9H-phenanthro[1,2-b][1]benzofuran-9-id-10-yl)pyridine;[4-[dideuterio(phenyl)methyl]-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium (CID 162708845) is 4-[dideuterio(phenyl)methyl]-2-(9H-phenanthro[1,2-b][1]benzofuran-9-id-10-yl)pyridine;[4-[dideuterio(phenyl)methyl]-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium.

What is the SMILES notation for 4-[dideuterio(phenyl)methyl]-2-(9H-phenanthro[1,2-b][1]benzofuran-9-id-10-yl)pyridine;[4-[dideuterio(phenyl)methyl]-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium?

The canonical SMILES for 4-[dideuterio(phenyl)methyl]-2-(9H-phenanthro[1,2-b][1]benzofuran-9-id-10-yl)pyridine;[4-[dideuterio(phenyl)methyl]-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium is [2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])c3ccccc3)c([Ge](C)(C)C)cn2)cc1.[2H]C([2H])(c1ccccc1)c1ccnc(-c2[c-]ccc3c2oc2c3ccc3c4ccccc4ccc32)c1.[Ir].

What is the InChIKey of 4-[dideuterio(phenyl)methyl]-2-(9H-phenanthro[1,2-b][1]benzofuran-9-id-10-yl)pyridine;[4-[dideuterio(phenyl)methyl]-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium?

The InChIKey is KHZQIPBNUFVECM-HVQPKLFISA-N. The full InChI is InChI=1S/C32H20NO.C22H24GeN.Ir/c1-2-7-21(8-3-1)19-22-17-18-33-30(20-22)29-12-6-11-26-28-16-15-25-24-10-5-4-9-23(24)13-14-27(25)31(28)34-32(26)29;1-17-10-12-19(13-11-17)22-15-20(14-18-8-6-5-7-9-18)21(16-24-22)23(2,3)4;/h1-11,13-18,20H,19H2;5-12,15-16H,14H2,1-4H3;/q2*-1;/i19D2;1D3,14D2;.

What are the key properties of 4-[dideuterio(phenyl)methyl]-2-(9H-phenanthro[1,2-b][1]benzofuran-9-id-10-yl)pyridine;[4-[dideuterio(phenyl)methyl]-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium?

4-[dideuterio(phenyl)methyl]-2-(9H-phenanthro[1,2-b][1]benzofuran-9-id-10-yl)pyridine;[4-[dideuterio(phenyl)methyl]-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium has a molecular weight of 1008.83 g/mol, XLogP of 13.34, 8 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-(9H-phenanthro[1,2-b][1]benzofuran-9-id-10-yl)pyridine;[4-[dideuterio(phenyl)methyl]-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium is sourced from PubChem (CID 162708845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).