[2-deuterio-1-(2H-dibenzofuran-2-id-1-yl)ethenyl]-(1,2,3-trideuterioprop-2-enyl)azanide;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4,5-dideuterio-6-(3H-dibenzofuran-3-id-4-yl)-3-(trideuteriomethyl)-2H-pyridin-1-ide;2-hexa-1,5-dien-2-yl-5-methylpyridine;bis(iridium);tris(iridium(3+));5-methyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)-3,4-dihydropyridine;2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine;2,3,4,5-tetradeuterio-6-(2H-dibenzofuran-2-id-1-yl)pyridine;2,3,4,5-tetradeuterio-6-(2H-dibenzofuran-2-id-1-yl)-2H-pyridin-1-ide

C147H115Ir5N10O5-4 — CID 158505090

About [2-deuterio-1-(2H-dibenzofuran-2-id-1-yl)ethenyl]-(1,2,3-trideuterioprop-2-enyl)azanide;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4,5-dideuterio-6-(3H-dibenzofuran-3-id-4-yl)-3-(trideuteriomethyl)-2H-pyridin-1-ide;2-hexa-1,5-dien-2-yl-5-methylpyridine;bis(iridium);tris(iridium(3+));5-methyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)-3,4-dihydropyridine;2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine;2,3,4,5-tetradeuterio-6-(2H-dibenzofuran-2-id-1-yl)pyridine;2,3,4,5-tetradeuterio-6-(2H-dibenzofuran-2-id-1-yl)-2H-pyridin-1-ide

[2-deuterio-1-(2H-dibenzofuran-2-id-1-yl)ethenyl]-(1,2,3-trideuterioprop-2-enyl)azanide;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4,5-dideuterio-6-(3H-dibenzofuran-3-id-4-yl)-3-(trideuteriomethyl)-2H-pyridin-1-ide;2-hexa-1,5-dien-2-yl-5-methylpyridine;bis(iridium);tris(iridium(3+));5-methyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)-3,4-dihydropyridine;2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine;2,3,4,5-tetradeuterio-6-(2H-dibenzofuran-2-id-1-yl)pyridine;2,3,4,5-tetradeuterio-6-(2H-dibenzofuran-2-id-1-yl)-2H-pyridin-1-ide (PubChem CID 158505090) has the molecular formula C147H115Ir5N10O5-4 and a molecular weight of 3090.86 g/mol. Its IUPAC name is [2-deuterio-1-(2H-dibenzofuran-2-id-1-yl)ethenyl]-(1,2,3-trideuterioprop-2-enyl)azanide;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4,5-dideuterio-6-(3H-dibenzofuran-3-id-4-yl)-3-(trideuteriomethyl)-2H-pyridin-1-ide;2-hexa-1,5-dien-2-yl-5-methylpyridine;bis(iridium);tris(iridium(3+));5-methyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)-3,4-dihydropyridine;2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine;2,3,4,5-tetradeuterio-6-(2H-dibenzofuran-2-id-1-yl)pyridine;2,3,4,5-tetradeuterio-6-(2H-dibenzofuran-2-id-1-yl)-2H-pyridin-1-ide.

Molecular Properties

• Compound Name: [2-deuterio-1-(2H-dibenzofuran-2-id-1-yl)ethenyl]-(1,2,3-trideuterioprop-2-enyl)azanide;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4,5-dideuterio-6-(3H-dibenzofuran-3-id-4-yl)-3-(trideuteriomethyl)-2H-pyridin-1-ide;2-hexa-1,5-dien-2-yl-5-methylpyridine;bis(iridium);tris(iridium(3+));5-methyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)-3,4-dihydropyridine;2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine;2,3,4,5-tetradeuterio-6-(2H-dibenzofuran-2-id-1-yl)pyridine;2,3,4,5-tetradeuterio-6-(2H-dibenzofuran-2-id-1-yl)-2H-pyridin-1-ide
• PubChem CID: 158505090
• Molecular Formula: C147H115Ir5N10O5-4
• Molecular Weight: 3090.86 g/mol
• Exact Mass: 3092.90
• IUPAC Name: [2-deuterio-1-(2H-dibenzofuran-2-id-1-yl)ethenyl]-(1,2,3-trideuterioprop-2-enyl)azanide;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4,5-dideuterio-6-(3H-dibenzofuran-3-id-4-yl)-3-(trideuteriomethyl)-2H-pyridin-1-ide;2-hexa-1,5-dien-2-yl-5-methylpyridine;bis(iridium);tris(iridium(3+));5-methyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)-3,4-dihydropyridine;2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine;2,3,4,5-tetradeuterio-6-(2H-dibenzofuran-2-id-1-yl)pyridine;2,3,4,5-tetradeuterio-6-(2H-dibenzofuran-2-id-1-yl)-2H-pyridin-1-ide
• SMILES: C=CC[CH-]C(=C)c1ccc(C)cn1.Cc1ccc(-c2[c-]cccc2)nc1.[2H]/C=C(\[N-]C([2H])/C([2H])=C/[2H])c1[c-]ccc2oc3ccccc3c12.[2H]C([2H])([2H])C1=CN=C(c2[c-]cccc2)CC1C.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C1=C(c2[c-]ccc3c2oc2ccccc23)[N-]CC(C([2H])([2H])[2H])=C1[2H].[2H]C1=C(c2[c-]ccc3oc4ccccc4c23)[N-]C([2H])C([2H])=C1[2H].[2H]c1c(C([2H])([2H])[2H])cnc(-c2[c-]ccc3c2oc2ccccc23)c1[2H].[2H]c1nc(-c2[c-]ccc3oc4ccccc4c23)c([2H])c([2H])c1[2H].[Ir+3].[Ir+3].[Ir+3].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C18H13NO.C18H12NO.C17H11NO.C17H10NO.C17H13NO.C13H14N.2C12H10N.C12H14N.C11H8N.5Ir/c2*1-12-9-10-16(19-11-12)15-7-4-6-14-13-5-2-3-8-17(13)20-18(14)15;2*1-2-9-15-13(6-1)17-12(7-5-10-16(17)19-15)14-8-3-4-11-18-14;1-3-11-18-12(2)13-8-6-10-16-17(13)14-7-4-5-9-15(14)19-16;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;2*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-4-5-6-11(3)12-8-7-10(2)9-13-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h2-6,8-10H,11H2,1H3;2-6,8-11H,1H3;1-6,8-10H,11H2;1-6,8-11H;3-7,9-10H,1-2,11H2;3-6,9-10H,8H2,1-2H3;2*2-5,7-9H,1H3;4,6-9H,1,3,5H2,2H3;1-6,8-9H;;;;;/q-2;-1;-2;-1;-2;5*-1;;;3*+3/i2*1D3,9D,10D;2*3D,4D,8D,11D;1D,2D,3D,11D;2D3;1D3;;;;;;;;/b;;;;3-1+,12-2-
• InChIKey: HGVFOCWPUHXSLW-CRQKBNLISA-N
• XLogP: 38.51
• TPSA: 197.70 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 20
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3090.86
LogP ≤ 5	38.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-deuterio-1-(2H-dibenzofuran-2-id-1-yl)ethenyl]-(1,2,3-trideuterioprop-2-enyl)azanide;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4,5-dideuterio-6-(3H-dibenzofuran-3-id-4-yl)-3-(trideuteriomethyl)-2H-pyridin-1-ide;2-hexa-1,5-dien-2-yl-5-methylpyridine;bis(iridium);tris(iridium(3+));5-methyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)-3,4-dihydropyridine;2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine;2,3,4,5-tetradeuterio-6-(2H-dibenzofuran-2-id-1-yl)pyridine;2,3,4,5-tetradeuterio-6-(2H-dibenzofuran-2-id-1-yl)-2H-pyridin-1-ide?

The IUPAC name of [2-deuterio-1-(2H-dibenzofuran-2-id-1-yl)ethenyl]-(1,2,3-trideuterioprop-2-enyl)azanide;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4,5-dideuterio-6-(3H-dibenzofuran-3-id-4-yl)-3-(trideuteriomethyl)-2H-pyridin-1-ide;2-hexa-1,5-dien-2-yl-5-methylpyridine;bis(iridium);tris(iridium(3+));5-methyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)-3,4-dihydropyridine;2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine;2,3,4,5-tetradeuterio-6-(2H-dibenzofuran-2-id-1-yl)pyridine;2,3,4,5-tetradeuterio-6-(2H-dibenzofuran-2-id-1-yl)-2H-pyridin-1-ide (CID 158505090) is [2-deuterio-1-(2H-dibenzofuran-2-id-1-yl)ethenyl]-(1,2,3-trideuterioprop-2-enyl)azanide;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4,5-dideuterio-6-(3H-dibenzofuran-3-id-4-yl)-3-(trideuteriomethyl)-2H-pyridin-1-ide;2-hexa-1,5-dien-2-yl-5-methylpyridine;bis(iridium);tris(iridium(3+));5-methyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)-3,4-dihydropyridine;2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine;2,3,4,5-tetradeuterio-6-(2H-dibenzofuran-2-id-1-yl)pyridine;2,3,4,5-tetradeuterio-6-(2H-dibenzofuran-2-id-1-yl)-2H-pyridin-1-ide.

What is the SMILES notation for [2-deuterio-1-(2H-dibenzofuran-2-id-1-yl)ethenyl]-(1,2,3-trideuterioprop-2-enyl)azanide;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4,5-dideuterio-6-(3H-dibenzofuran-3-id-4-yl)-3-(trideuteriomethyl)-2H-pyridin-1-ide;2-hexa-1,5-dien-2-yl-5-methylpyridine;bis(iridium);tris(iridium(3+));5-methyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)-3,4-dihydropyridine;2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine;2,3,4,5-tetradeuterio-6-(2H-dibenzofuran-2-id-1-yl)pyridine;2,3,4,5-tetradeuterio-6-(2H-dibenzofuran-2-id-1-yl)-2H-pyridin-1-ide?

The canonical SMILES for [2-deuterio-1-(2H-dibenzofuran-2-id-1-yl)ethenyl]-(1,2,3-trideuterioprop-2-enyl)azanide;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4,5-dideuterio-6-(3H-dibenzofuran-3-id-4-yl)-3-(trideuteriomethyl)-2H-pyridin-1-ide;2-hexa-1,5-dien-2-yl-5-methylpyridine;bis(iridium);tris(iridium(3+));5-methyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)-3,4-dihydropyridine;2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine;2,3,4,5-tetradeuterio-6-(2H-dibenzofuran-2-id-1-yl)pyridine;2,3,4,5-tetradeuterio-6-(2H-dibenzofuran-2-id-1-yl)-2H-pyridin-1-ide is C=CC[CH-]C(=C)c1ccc(C)cn1.Cc1ccc(-c2[c-]cccc2)nc1.[2H]/C=C(\[N-]C([2H])/C([2H])=C/[2H])c1[c-]ccc2oc3ccccc3c12.[2H]C([2H])([2H])C1=CN=C(c2[c-]cccc2)CC1C.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C1=C(c2[c-]ccc3c2oc2ccccc23)[N-]CC(C([2H])([2H])[2H])=C1[2H].[2H]C1=C(c2[c-]ccc3oc4ccccc4c23)[N-]C([2H])C([2H])=C1[2H].[2H]c1c(C([2H])([2H])[2H])cnc(-c2[c-]ccc3c2oc2ccccc23)c1[2H].[2H]c1nc(-c2[c-]ccc3oc4ccccc4c23)c([2H])c([2H])c1[2H].[Ir+3].[Ir+3].[Ir+3].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.

What is the InChIKey of [2-deuterio-1-(2H-dibenzofuran-2-id-1-yl)ethenyl]-(1,2,3-trideuterioprop-2-enyl)azanide;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4,5-dideuterio-6-(3H-dibenzofuran-3-id-4-yl)-3-(trideuteriomethyl)-2H-pyridin-1-ide;2-hexa-1,5-dien-2-yl-5-methylpyridine;bis(iridium);tris(iridium(3+));5-methyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)-3,4-dihydropyridine;2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine;2,3,4,5-tetradeuterio-6-(2H-dibenzofuran-2-id-1-yl)pyridine;2,3,4,5-tetradeuterio-6-(2H-dibenzofuran-2-id-1-yl)-2H-pyridin-1-ide?

The InChIKey is HGVFOCWPUHXSLW-CRQKBNLISA-N. The full InChI is InChI=1S/C18H13NO.C18H12NO.C17H11NO.C17H10NO.C17H13NO.C13H14N.2C12H10N.C12H14N.C11H8N.5Ir/c2*1-12-9-10-16(19-11-12)15-7-4-6-14-13-5-2-3-8-17(13)20-18(14)15;2*1-2-9-15-13(6-1)17-12(7-5-10-16(17)19-15)14-8-3-4-11-18-14;1-3-11-18-12(2)13-8-6-10-16-17(13)14-7-4-5-9-15(14)19-16;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;2*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-4-5-6-11(3)12-8-7-10(2)9-13-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h2-6,8-10H,11H2,1H3;2-6,8-11H,1H3;1-6,8-10H,11H2;1-6,8-11H;3-7,9-10H,1-2,11H2;3-6,9-10H,8H2,1-2H3;2*2-5,7-9H,1H3;4,6-9H,1,3,5H2,2H3;1-6,8-9H;;;;;/q-2;-1;-2;-1;-2;5*-1;;;3*+3/i2*1D3,9D,10D;2*3D,4D,8D,11D;1D,2D,3D,11D;2D3;1D3;;;;;;;;/b;;;;3-1+,12-2-;;;;;;;;;;.

What are the key properties of [2-deuterio-1-(2H-dibenzofuran-2-id-1-yl)ethenyl]-(1,2,3-trideuterioprop-2-enyl)azanide;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4,5-dideuterio-6-(3H-dibenzofuran-3-id-4-yl)-3-(trideuteriomethyl)-2H-pyridin-1-ide;2-hexa-1,5-dien-2-yl-5-methylpyridine;bis(iridium);tris(iridium(3+));5-methyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)-3,4-dihydropyridine;2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine;2,3,4,5-tetradeuterio-6-(2H-dibenzofuran-2-id-1-yl)pyridine;2,3,4,5-tetradeuterio-6-(2H-dibenzofuran-2-id-1-yl)-2H-pyridin-1-ide?

[2-deuterio-1-(2H-dibenzofuran-2-id-1-yl)ethenyl]-(1,2,3-trideuterioprop-2-enyl)azanide;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4,5-dideuterio-6-(3H-dibenzofuran-3-id-4-yl)-3-(trideuteriomethyl)-2H-pyridin-1-ide;2-hexa-1,5-dien-2-yl-5-methylpyridine;bis(iridium);tris(iridium(3+));5-methyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)-3,4-dihydropyridine;2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine;2,3,4,5-tetradeuterio-6-(2H-dibenzofuran-2-id-1-yl)pyridine;2,3,4,5-tetradeuterio-6-(2H-dibenzofuran-2-id-1-yl)-2H-pyridin-1-ide has a molecular weight of 3090.86 g/mol, XLogP of 38.51, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [2-deuterio-1-(2H-dibenzofuran-2-id-1-yl)ethenyl]-(1,2,3-trideuterioprop-2-enyl)azanide;3,4-dideuterio-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4,5-dideuterio-6-(3H-dibenzofuran-3-id-4-yl)-3-(trideuteriomethyl)-2H-pyridin-1-ide;2-hexa-1,5-dien-2-yl-5-methylpyridine;bis(iridium);tris(iridium(3+));5-methyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)-3,4-dihydropyridine;2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine;2,3,4,5-tetradeuterio-6-(2H-dibenzofuran-2-id-1-yl)pyridine;2,3,4,5-tetradeuterio-6-(2H-dibenzofuran-2-id-1-yl)-2H-pyridin-1-ide is sourced from PubChem (CID 158505090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).