5-dibenzofuran-4-yl-4-ethyl-2-phenylpyridine;5-dibenzofuran-4-yl-4-methyl-2-phenylpyridine;5-dibenzofuran-4-yl-2-phenyl-4-(trideuteriomethyl)pyridine;tris(iridium);4-methyl-2-phenylpyridine;bis(2-phenylpyridine)

C107H76Ir3N6O3-6 — CID 158477004

About 5-dibenzofuran-4-yl-4-ethyl-2-phenylpyridine;5-dibenzofuran-4-yl-4-methyl-2-phenylpyridine;5-dibenzofuran-4-yl-2-phenyl-4-(trideuteriomethyl)pyridine;tris(iridium);4-methyl-2-phenylpyridine;bis(2-phenylpyridine)

5-dibenzofuran-4-yl-4-ethyl-2-phenylpyridine;5-dibenzofuran-4-yl-4-methyl-2-phenylpyridine;5-dibenzofuran-4-yl-2-phenyl-4-(trideuteriomethyl)pyridine;tris(iridium);4-methyl-2-phenylpyridine;bis(2-phenylpyridine) (PubChem CID 158477004) has the molecular formula C107H76Ir3N6O3-6 and a molecular weight of 2073.49 g/mol. Its IUPAC name is 5-dibenzofuran-4-yl-4-ethyl-2-phenylpyridine;5-dibenzofuran-4-yl-4-methyl-2-phenylpyridine;5-dibenzofuran-4-yl-2-phenyl-4-(trideuteriomethyl)pyridine;tris(iridium);4-methyl-2-phenylpyridine;bis(2-phenylpyridine).

Molecular Properties

• Compound Name: 5-dibenzofuran-4-yl-4-ethyl-2-phenylpyridine;5-dibenzofuran-4-yl-4-methyl-2-phenylpyridine;5-dibenzofuran-4-yl-2-phenyl-4-(trideuteriomethyl)pyridine;tris(iridium);4-methyl-2-phenylpyridine;bis(2-phenylpyridine)
• PubChem CID: 158477004
• Molecular Formula: C107H76Ir3N6O3-6
• Molecular Weight: 2073.49 g/mol
• Exact Mass: 2074.51
• IUPAC Name: 5-dibenzofuran-4-yl-4-ethyl-2-phenylpyridine;5-dibenzofuran-4-yl-4-methyl-2-phenylpyridine;5-dibenzofuran-4-yl-2-phenyl-4-(trideuteriomethyl)pyridine;tris(iridium);4-methyl-2-phenylpyridine;bis(2-phenylpyridine)
• SMILES: CCc1cc(-c2[c-]cccc2)ncc1-c1cccc2c1oc1ccccc12.Cc1cc(-c2[c-]cccc2)ncc1-c1cccc2c1oc1ccccc12.Cc1ccnc(-c2[c-]cccc2)c1.[2H]C([2H])([2H])c1cc(-c2[c-]cccc2)ncc1-c1cccc2c1oc1ccccc12.[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C25H18NO.2C24H16NO.C12H10N.2C11H8N.3Ir/c1-2-17-15-23(18-9-4-3-5-10-18)26-16-22(17)21-13-8-12-20-19-11-6-7-14-24(19)27-25(20)21;2*1-16-14-22(17-8-3-2-4-9-17)25-15-21(16)20-12-7-11-19-18-10-5-6-13-23(18)26-24(19)20;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h3-9,11-16H,2H2,1H3;2*2-8,10-15H,1H3;2-5,7-9H,1H3;2*1-6,8-9H;;;/q6*-1;;;/i;1D3
• InChIKey: XZGGKCCWFWLFND-NGFNSTOFSA-N
• XLogP: 27.47
• TPSA: 116.76 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2073.49
LogP ≤ 5	27.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-dibenzofuran-4-yl-4-ethyl-2-phenylpyridine;5-dibenzofuran-4-yl-4-methyl-2-phenylpyridine;5-dibenzofuran-4-yl-2-phenyl-4-(trideuteriomethyl)pyridine;tris(iridium);4-methyl-2-phenylpyridine;bis(2-phenylpyridine)?

The IUPAC name of 5-dibenzofuran-4-yl-4-ethyl-2-phenylpyridine;5-dibenzofuran-4-yl-4-methyl-2-phenylpyridine;5-dibenzofuran-4-yl-2-phenyl-4-(trideuteriomethyl)pyridine;tris(iridium);4-methyl-2-phenylpyridine;bis(2-phenylpyridine) (CID 158477004) is 5-dibenzofuran-4-yl-4-ethyl-2-phenylpyridine;5-dibenzofuran-4-yl-4-methyl-2-phenylpyridine;5-dibenzofuran-4-yl-2-phenyl-4-(trideuteriomethyl)pyridine;tris(iridium);4-methyl-2-phenylpyridine;bis(2-phenylpyridine).

What is the SMILES notation for 5-dibenzofuran-4-yl-4-ethyl-2-phenylpyridine;5-dibenzofuran-4-yl-4-methyl-2-phenylpyridine;5-dibenzofuran-4-yl-2-phenyl-4-(trideuteriomethyl)pyridine;tris(iridium);4-methyl-2-phenylpyridine;bis(2-phenylpyridine)?

The canonical SMILES for 5-dibenzofuran-4-yl-4-ethyl-2-phenylpyridine;5-dibenzofuran-4-yl-4-methyl-2-phenylpyridine;5-dibenzofuran-4-yl-2-phenyl-4-(trideuteriomethyl)pyridine;tris(iridium);4-methyl-2-phenylpyridine;bis(2-phenylpyridine) is CCc1cc(-c2[c-]cccc2)ncc1-c1cccc2c1oc1ccccc12.Cc1cc(-c2[c-]cccc2)ncc1-c1cccc2c1oc1ccccc12.Cc1ccnc(-c2[c-]cccc2)c1.[2H]C([2H])([2H])c1cc(-c2[c-]cccc2)ncc1-c1cccc2c1oc1ccccc12.[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 5-dibenzofuran-4-yl-4-ethyl-2-phenylpyridine;5-dibenzofuran-4-yl-4-methyl-2-phenylpyridine;5-dibenzofuran-4-yl-2-phenyl-4-(trideuteriomethyl)pyridine;tris(iridium);4-methyl-2-phenylpyridine;bis(2-phenylpyridine)?

The InChIKey is XZGGKCCWFWLFND-NGFNSTOFSA-N. The full InChI is InChI=1S/C25H18NO.2C24H16NO.C12H10N.2C11H8N.3Ir/c1-2-17-15-23(18-9-4-3-5-10-18)26-16-22(17)21-13-8-12-20-19-11-6-7-14-24(19)27-25(20)21;2*1-16-14-22(17-8-3-2-4-9-17)25-15-21(16)20-12-7-11-19-18-10-5-6-13-23(18)26-24(19)20;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h3-9,11-16H,2H2,1H3;2*2-8,10-15H,1H3;2-5,7-9H,1H3;2*1-6,8-9H;;;/q6*-1;;;/i;1D3;;;;;;;.

What are the key properties of 5-dibenzofuran-4-yl-4-ethyl-2-phenylpyridine;5-dibenzofuran-4-yl-4-methyl-2-phenylpyridine;5-dibenzofuran-4-yl-2-phenyl-4-(trideuteriomethyl)pyridine;tris(iridium);4-methyl-2-phenylpyridine;bis(2-phenylpyridine)?

5-dibenzofuran-4-yl-4-ethyl-2-phenylpyridine;5-dibenzofuran-4-yl-4-methyl-2-phenylpyridine;5-dibenzofuran-4-yl-2-phenyl-4-(trideuteriomethyl)pyridine;tris(iridium);4-methyl-2-phenylpyridine;bis(2-phenylpyridine) has a molecular weight of 2073.49 g/mol, XLogP of 27.47, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-dibenzofuran-4-yl-4-ethyl-2-phenylpyridine;5-dibenzofuran-4-yl-4-methyl-2-phenylpyridine;5-dibenzofuran-4-yl-2-phenyl-4-(trideuteriomethyl)pyridine;tris(iridium);4-methyl-2-phenylpyridine;bis(2-phenylpyridine) is sourced from PubChem (CID 158477004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).