[6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(1,3-dimethyl-7H-[1]benzofuro[2,3-c]pyridin-7-id-6-yl)-3-pyridinyl]-dimethyl-phenylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]-phenylsilane;tris(iridium);tris(2-phenylpyridine)

C108H87Ir3N9O3Si3-6 — CID 159227979

About [6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(1,3-dimethyl-7H-[1]benzofuro[2,3-c]pyridin-7-id-6-yl)-3-pyridinyl]-dimethyl-phenylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]-phenylsilane;tris(iridium);tris(2-phenylpyridine)

[6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(1,3-dimethyl-7H-[1]benzofuro[2,3-c]pyridin-7-id-6-yl)-3-pyridinyl]-dimethyl-phenylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]-phenylsilane;tris(iridium);tris(2-phenylpyridine) (PubChem CID 159227979) has the molecular formula C108H87Ir3N9O3Si3-6 and a molecular weight of 2219.85 g/mol. Its IUPAC name is [6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(1,3-dimethyl-7H-[1]benzofuro[2,3-c]pyridin-7-id-6-yl)-3-pyridinyl]-dimethyl-phenylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]-phenylsilane;tris(iridium);tris(2-phenylpyridine).

Molecular Properties

• Compound Name: [6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(1,3-dimethyl-7H-[1]benzofuro[2,3-c]pyridin-7-id-6-yl)-3-pyridinyl]-dimethyl-phenylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]-phenylsilane;tris(iridium);tris(2-phenylpyridine)
• PubChem CID: 159227979
• Molecular Formula: C108H87Ir3N9O3Si3-6
• Molecular Weight: 2219.85 g/mol
• Exact Mass: 2220.52
• IUPAC Name: [6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(1,3-dimethyl-7H-[1]benzofuro[2,3-c]pyridin-7-id-6-yl)-3-pyridinyl]-dimethyl-phenylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]-phenylsilane;tris(iridium);tris(2-phenylpyridine)
• SMILES: C[Si](C)(c1ccccc1)c1ccc(-c2[c-]nc3oc4ccccc4c3c2)nc1.Cc1cc2c(oc3c[c-]c(-c4ccc([Si](C)(C)c5ccccc5)cn4)cc32)c(C)n1.Cc1ccc2c(n1)oc1c[c-]c(-c3ccc([Si](C)(C)c4ccccc4)cn3)cc12.[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C26H23N2OSi.C25H21N2OSi.C24H19N2OSi.3C11H8N.3Ir/c1-17-14-23-22-15-19(10-13-25(22)29-26(23)18(2)28-17)24-12-11-21(16-27-24)30(3,4)20-8-6-5-7-9-20;1-17-9-12-21-22-15-18(10-14-24(22)28-25(21)27-17)23-13-11-20(16-26-23)29(2,3)19-7-5-4-6-8-19;1-28(2,18-8-4-3-5-9-18)19-12-13-22(25-16-19)17-14-21-20-10-6-7-11-23(20)27-24(21)26-15-17;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h5-9,11-16H,1-4H3;4-9,11-16H,1-3H3;3-14,16H,1-2H3;3*1-6,8-9H;;;/q6*-1
• InChIKey: PIAMJAAOWCLVFS-UHFFFAOYSA-N
• XLogP: 22.56
• TPSA: 155.43 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2219.85
LogP ≤ 5	22.56
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-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(1,3-dimethyl-7H-[1]benzofuro[2,3-c]pyridin-7-id-6-yl)-3-pyridinyl]-dimethyl-phenylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]-phenylsilane;tris(iridium);tris(2-phenylpyridine)?

The IUPAC name of [6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(1,3-dimethyl-7H-[1]benzofuro[2,3-c]pyridin-7-id-6-yl)-3-pyridinyl]-dimethyl-phenylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]-phenylsilane;tris(iridium);tris(2-phenylpyridine) (CID 159227979) is [6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(1,3-dimethyl-7H-[1]benzofuro[2,3-c]pyridin-7-id-6-yl)-3-pyridinyl]-dimethyl-phenylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]-phenylsilane;tris(iridium);tris(2-phenylpyridine).

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

The canonical SMILES for [6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(1,3-dimethyl-7H-[1]benzofuro[2,3-c]pyridin-7-id-6-yl)-3-pyridinyl]-dimethyl-phenylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]-phenylsilane;tris(iridium);tris(2-phenylpyridine) is C[Si](C)(c1ccccc1)c1ccc(-c2[c-]nc3oc4ccccc4c3c2)nc1.Cc1cc2c(oc3c[c-]c(-c4ccc([Si](C)(C)c5ccccc5)cn4)cc32)c(C)n1.Cc1ccc2c(n1)oc1c[c-]c(-c3ccc([Si](C)(C)c4ccccc4)cn3)cc12.[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of [6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(1,3-dimethyl-7H-[1]benzofuro[2,3-c]pyridin-7-id-6-yl)-3-pyridinyl]-dimethyl-phenylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]-phenylsilane;tris(iridium);tris(2-phenylpyridine)?

The InChIKey is PIAMJAAOWCLVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N2OSi.C25H21N2OSi.C24H19N2OSi.3C11H8N.3Ir/c1-17-14-23-22-15-19(10-13-25(22)29-26(23)18(2)28-17)24-12-11-21(16-27-24)30(3,4)20-8-6-5-7-9-20;1-17-9-12-21-22-15-18(10-14-24(22)28-25(21)27-17)23-13-11-20(16-26-23)29(2,3)19-7-5-4-6-8-19;1-28(2,18-8-4-3-5-9-18)19-12-13-22(25-16-19)17-14-21-20-10-6-7-11-23(20)27-24(21)26-15-17;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h5-9,11-16H,1-4H3;4-9,11-16H,1-3H3;3-14,16H,1-2H3;3*1-6,8-9H;;;/q6*-1;;;.

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

[6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(1,3-dimethyl-7H-[1]benzofuro[2,3-c]pyridin-7-id-6-yl)-3-pyridinyl]-dimethyl-phenylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]-phenylsilane;tris(iridium);tris(2-phenylpyridine) has a molecular weight of 2219.85 g/mol, XLogP of 22.56, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(1,3-dimethyl-7H-[1]benzofuro[2,3-c]pyridin-7-id-6-yl)-3-pyridinyl]-dimethyl-phenylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]-phenylsilane;tris(iridium);tris(2-phenylpyridine) is sourced from PubChem (CID 159227979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).