[6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]-dimethyl-phenylsilane;tris(iridium);tris(2-phenylpyridine);trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-phenyl-3-pyridinyl]silane

C106H91Ir3N9O3Si3-6 — CID 161384421

About [6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]-dimethyl-phenylsilane;tris(iridium);tris(2-phenylpyridine);trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-phenyl-3-pyridinyl]silane

[6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]-dimethyl-phenylsilane;tris(iridium);tris(2-phenylpyridine);trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-phenyl-3-pyridinyl]silane (PubChem CID 161384421) has the molecular formula C106H91Ir3N9O3Si3-6 and a molecular weight of 2199.86 g/mol. Its IUPAC name is [6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]-dimethyl-phenylsilane;tris(iridium);tris(2-phenylpyridine);trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-phenyl-3-pyridinyl]silane.

Molecular Properties

• Compound Name: [6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]-dimethyl-phenylsilane;tris(iridium);tris(2-phenylpyridine);trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-phenyl-3-pyridinyl]silane
• PubChem CID: 161384421
• Molecular Formula: C106H91Ir3N9O3Si3-6
• Molecular Weight: 2199.86 g/mol
• Exact Mass: 2200.55
• IUPAC Name: [6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]-dimethyl-phenylsilane;tris(iridium);tris(2-phenylpyridine);trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-phenyl-3-pyridinyl]silane
• SMILES: CC(C)Cc1cc(-c2[c-]ccc3c2oc2ncccc23)ncc1[Si](C)(C)C.C[Si](C)(c1ccccc1)c1ccc(-c2[c-]ccc3c2oc2ncccc23)nc1.Cc1ccc2c(n1)oc1c(-c3cc(-c4ccccc4)c([Si](C)(C)C)cn3)[c-]ccc12.[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C26H23N2OSi.C24H19N2OSi.C23H25N2OSi.3C11H8N.3Ir/c1-17-13-14-20-19-11-8-12-21(25(19)29-26(20)28-17)23-15-22(18-9-6-5-7-10-18)24(16-27-23)30(2,3)4;1-28(2,17-8-4-3-5-9-17)18-13-14-22(26-16-18)21-11-6-10-19-20-12-7-15-25-24(20)27-23(19)21;1-15(2)12-16-13-20(25-14-21(16)27(3,4)5)19-9-6-8-17-18-10-7-11-24-23(18)26-22(17)19;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h5-11,13-16H,1-4H3;3-10,12-16H,1-2H3;6-8,10-11,13-15H,12H2,1-5H3;3*1-6,8-9H;;;/q6*-1
• InChIKey: SFXFSVKFBQLSJF-UHFFFAOYSA-N
• XLogP: 24.26
• TPSA: 155.43 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2199.86
LogP ≤ 5	24.26
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': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]-dimethyl-phenylsilane;tris(iridium);tris(2-phenylpyridine);trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-phenyl-3-pyridinyl]silane?

The IUPAC name of [6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]-dimethyl-phenylsilane;tris(iridium);tris(2-phenylpyridine);trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-phenyl-3-pyridinyl]silane (CID 161384421) is [6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]-dimethyl-phenylsilane;tris(iridium);tris(2-phenylpyridine);trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-phenyl-3-pyridinyl]silane.

What is the SMILES notation for [6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]-dimethyl-phenylsilane;tris(iridium);tris(2-phenylpyridine);trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-phenyl-3-pyridinyl]silane?

The canonical SMILES for [6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]-dimethyl-phenylsilane;tris(iridium);tris(2-phenylpyridine);trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-phenyl-3-pyridinyl]silane is CC(C)Cc1cc(-c2[c-]ccc3c2oc2ncccc23)ncc1[Si](C)(C)C.C[Si](C)(c1ccccc1)c1ccc(-c2[c-]ccc3c2oc2ncccc23)nc1.Cc1ccc2c(n1)oc1c(-c3cc(-c4ccccc4)c([Si](C)(C)C)cn3)[c-]ccc12.[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of [6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]-dimethyl-phenylsilane;tris(iridium);tris(2-phenylpyridine);trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-phenyl-3-pyridinyl]silane?

The InChIKey is SFXFSVKFBQLSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N2OSi.C24H19N2OSi.C23H25N2OSi.3C11H8N.3Ir/c1-17-13-14-20-19-11-8-12-21(25(19)29-26(20)28-17)23-15-22(18-9-6-5-7-10-18)24(16-27-23)30(2,3)4;1-28(2,17-8-4-3-5-9-17)18-13-14-22(26-16-18)21-11-6-10-19-20-12-7-15-25-24(20)27-23(19)21;1-15(2)12-16-13-20(25-14-21(16)27(3,4)5)19-9-6-8-17-18-10-7-11-24-23(18)26-22(17)19;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h5-11,13-16H,1-4H3;3-10,12-16H,1-2H3;6-8,10-11,13-15H,12H2,1-5H3;3*1-6,8-9H;;;/q6*-1;;;.

What are the key properties of [6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]-dimethyl-phenylsilane;tris(iridium);tris(2-phenylpyridine);trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-phenyl-3-pyridinyl]silane?

[6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]-dimethyl-phenylsilane;tris(iridium);tris(2-phenylpyridine);trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-phenyl-3-pyridinyl]silane has a molecular weight of 2199.86 g/mol, XLogP of 24.26, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]-dimethyl-phenylsilane;tris(iridium);tris(2-phenylpyridine);trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-phenyl-3-pyridinyl]silane is sourced from PubChem (CID 161384421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).