8-[4-(3-deuteriospiro[5.5]undecan-3-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine);8-[4-[dideuterio-(1-methylcyclopentyl)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium)

C151H159Ir3N9O3-6 — CID 158150399

About 8-[4-(3-deuteriospiro[5.5]undecan-3-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine);8-[4-[dideuterio-(1-methylcyclopentyl)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium)

8-[4-(3-deuteriospiro[5.5]undecan-3-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine);8-[4-[dideuterio-(1-methylcyclopentyl)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium) (PubChem CID 158150399) has the molecular formula C151H159Ir3N9O3-6 and a molecular weight of 2752.81 g/mol. Its IUPAC name is 8-[4-(3-deuteriospiro[5.5]undecan-3-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine);8-[4-[dideuterio-(1-methylcyclopentyl)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium).

Molecular Properties

• Compound Name: 8-[4-(3-deuteriospiro[5.5]undecan-3-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine);8-[4-[dideuterio-(1-methylcyclopentyl)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium)
• PubChem CID: 158150399
• Molecular Formula: C151H159Ir3N9O3-6
• Molecular Weight: 2752.81 g/mol
• Exact Mass: 2753.32
• IUPAC Name: 8-[4-(3-deuteriospiro[5.5]undecan-3-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine);8-[4-[dideuterio-(1-methylcyclopentyl)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium)
• SMILES: [2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])C(C)(C)C)c(C([2H])([2H])[2H])cn2)cc1-c1ccccc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])C(C)(C)C)c(C([2H])([2H])[2H])cn2)cc1-c1ccccc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])C(C)(C)C)c(C([2H])([2H])[2H])cn2)cc1-c1ccccc1.[2H]C([2H])(c1ccnc(-c2[c-]ccc3c2oc2nc(C)ccc23)c1)C1(C)CCCC1.[2H]C1(c2ccnc(-c3[c-]ccc4c3oc3nc(C)ccc34)c2)CC(C)(C)CC(C)(C)C1.[2H]C1(c2ccnc(-c3[c-]ccc4c3oc3nc(C)ccc34)c2)CCC2(CCCCC2)CC1.[Ir].[Ir].[Ir]
• InChI: InChI=1S/C28H29N2O.C27H29N2O.C24H23N2O.3C24H26N.3Ir/c1-19-8-9-23-22-6-5-7-24(26(22)31-27(23)30-19)25-18-21(12-17-29-25)20-10-15-28(16-11-20)13-3-2-4-14-28;1-17-9-10-21-20-7-6-8-22(24(20)30-25(21)29-17)23-13-18(11-12-28-23)19-14-26(2,3)16-27(4,5)15-19;1-16-8-9-19-18-6-5-7-20(22(18)27-23(19)26-16)21-14-17(10-13-25-21)15-24(2)11-3-4-12-24;3*1-17-11-12-20(13-22(17)19-9-7-6-8-10-19)23-14-21(15-24(3,4)5)18(2)16-25-23;;;/h5-6,8-9,12,17-18,20H,2-4,10-11,13-16H2,1H3;6-7,9-13,19H,14-16H2,1-5H3;5-6,8-10,13-14H,3-4,11-12,15H2,1-2H3;3*6-11,13-14,16H,15H2,1-5H3;;;/q6*-1;;;/i20D;19D;15D2;3*1D3,2D3,15D2
• InChIKey: NGHKZRLVLUNNME-OSNAPLAWSA-N
• XLogP: 40.76
• TPSA: 155.43 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 22
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2752.81
LogP ≤ 5	40.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[4-(3-deuteriospiro[5.5]undecan-3-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine);8-[4-[dideuterio-(1-methylcyclopentyl)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium)?

The IUPAC name of 8-[4-(3-deuteriospiro[5.5]undecan-3-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine);8-[4-[dideuterio-(1-methylcyclopentyl)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium) (CID 158150399) is 8-[4-(3-deuteriospiro[5.5]undecan-3-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine);8-[4-[dideuterio-(1-methylcyclopentyl)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium).

What is the SMILES notation for 8-[4-(3-deuteriospiro[5.5]undecan-3-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine);8-[4-[dideuterio-(1-methylcyclopentyl)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium)?

The canonical SMILES for 8-[4-(3-deuteriospiro[5.5]undecan-3-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine);8-[4-[dideuterio-(1-methylcyclopentyl)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium) is [2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])C(C)(C)C)c(C([2H])([2H])[2H])cn2)cc1-c1ccccc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])C(C)(C)C)c(C([2H])([2H])[2H])cn2)cc1-c1ccccc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])C(C)(C)C)c(C([2H])([2H])[2H])cn2)cc1-c1ccccc1.[2H]C([2H])(c1ccnc(-c2[c-]ccc3c2oc2nc(C)ccc23)c1)C1(C)CCCC1.[2H]C1(c2ccnc(-c3[c-]ccc4c3oc3nc(C)ccc34)c2)CC(C)(C)CC(C)(C)C1.[2H]C1(c2ccnc(-c3[c-]ccc4c3oc3nc(C)ccc34)c2)CCC2(CCCCC2)CC1.[Ir].[Ir].[Ir].

What is the InChIKey of 8-[4-(3-deuteriospiro[5.5]undecan-3-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine);8-[4-[dideuterio-(1-methylcyclopentyl)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium)?

The InChIKey is NGHKZRLVLUNNME-OSNAPLAWSA-N. The full InChI is InChI=1S/C28H29N2O.C27H29N2O.C24H23N2O.3C24H26N.3Ir/c1-19-8-9-23-22-6-5-7-24(26(22)31-27(23)30-19)25-18-21(12-17-29-25)20-10-15-28(16-11-20)13-3-2-4-14-28;1-17-9-10-21-20-7-6-8-22(24(20)30-25(21)29-17)23-13-18(11-12-28-23)19-14-26(2,3)16-27(4,5)15-19;1-16-8-9-19-18-6-5-7-20(22(18)27-23(19)26-16)21-14-17(10-13-25-21)15-24(2)11-3-4-12-24;3*1-17-11-12-20(13-22(17)19-9-7-6-8-10-19)23-14-21(15-24(3,4)5)18(2)16-25-23;;;/h5-6,8-9,12,17-18,20H,2-4,10-11,13-16H2,1H3;6-7,9-13,19H,14-16H2,1-5H3;5-6,8-10,13-14H,3-4,11-12,15H2,1-2H3;3*6-11,13-14,16H,15H2,1-5H3;;;/q6*-1;;;/i20D;19D;15D2;3*1D3,2D3,15D2;;;.

What are the key properties of 8-[4-(3-deuteriospiro[5.5]undecan-3-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine);8-[4-[dideuterio-(1-methylcyclopentyl)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium)?

8-[4-(3-deuteriospiro[5.5]undecan-3-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine);8-[4-[dideuterio-(1-methylcyclopentyl)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium) has a molecular weight of 2752.81 g/mol, XLogP of 40.76, 22 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(3-deuteriospiro[5.5]undecan-3-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine);8-[4-[dideuterio-(1-methylcyclopentyl)methyl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium) is sourced from PubChem (CID 158150399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).