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

C104H109Ir3N9O3Si6-6 — CID 158870290

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

[6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-3-pyridinyl]-trimethylsilane;[6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]silane;tris(trimethyl-(6-phenyl-3-pyridinyl)silane) (PubChem CID 158870290) has the molecular formula C104H109Ir3N9O3Si6-6 and a molecular weight of 2278.24 g/mol. Its IUPAC name is [6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-3-pyridinyl]-trimethylsilane;[6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]silane;tris(trimethyl-(6-phenyl-3-pyridinyl)silane).

Molecular Properties

• Compound Name: [6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-3-pyridinyl]-trimethylsilane;[6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]silane;tris(trimethyl-(6-phenyl-3-pyridinyl)silane)
• PubChem CID: 158870290
• Molecular Formula: C104H109Ir3N9O3Si6-6
• Molecular Weight: 2278.24 g/mol
• Exact Mass: 2278.62
• IUPAC Name: [6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-3-pyridinyl]-trimethylsilane;[6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]silane;tris(trimethyl-(6-phenyl-3-pyridinyl)silane)
• SMILES: C[Si](C)(C)c1ccc(-c2[c-]cc3oc4ncccc4c3c2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]nc3oc4ccccc4c3c2)nc1.Cc1ccc2c(n1)oc1c[c-]c(-c3cc(CC(C)C)c([Si](C)(C)C)cn3)cc12.[Ir].[Ir].[Ir]
• InChI: InChI=1S/C24H27N2OSi.2C19H17N2OSi.3C14H16NSi.3Ir/c1-15(2)11-18-13-21(25-14-23(18)28(4,5)6)17-8-10-22-20(12-17)19-9-7-16(3)26-24(19)27-22;1-23(2,3)14-7-8-17(21-12-14)13-6-9-18-16(11-13)15-5-4-10-20-19(15)22-18;1-23(2,3)14-8-9-17(20-12-14)13-10-16-15-6-4-5-7-18(15)22-19(16)21-11-13;3*1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;;;/h7,9-10,12-15H,11H2,1-6H3;4-5,7-12H,1-3H3;4-10,12H,1-3H3;3*4-7,9-11H,1-3H3;;;/q6*-1
• InChIKey: IPXBDSADPJLDPC-UHFFFAOYSA-N
• XLogP: 23.95
• TPSA: 155.43 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2278.24
LogP ≤ 5	23.95
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]-trimethylsilane;[6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]silane;tris(trimethyl-(6-phenyl-3-pyridinyl)silane)?

The IUPAC name of [6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-3-pyridinyl]-trimethylsilane;[6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]silane;tris(trimethyl-(6-phenyl-3-pyridinyl)silane) (CID 158870290) is [6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-3-pyridinyl]-trimethylsilane;[6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]silane;tris(trimethyl-(6-phenyl-3-pyridinyl)silane).

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

The canonical SMILES for [6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-3-pyridinyl]-trimethylsilane;[6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]silane;tris(trimethyl-(6-phenyl-3-pyridinyl)silane) is C[Si](C)(C)c1ccc(-c2[c-]cc3oc4ncccc4c3c2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]nc3oc4ccccc4c3c2)nc1.Cc1ccc2c(n1)oc1c[c-]c(-c3cc(CC(C)C)c([Si](C)(C)C)cn3)cc12.[Ir].[Ir].[Ir].

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

The InChIKey is IPXBDSADPJLDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N2OSi.2C19H17N2OSi.3C14H16NSi.3Ir/c1-15(2)11-18-13-21(25-14-23(18)28(4,5)6)17-8-10-22-20(12-17)19-9-7-16(3)26-24(19)27-22;1-23(2,3)14-7-8-17(21-12-14)13-6-9-18-16(11-13)15-5-4-10-20-19(15)22-18;1-23(2,3)14-8-9-17(20-12-14)13-10-16-15-6-4-5-7-18(15)22-19(16)21-11-13;3*1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;;;/h7,9-10,12-15H,11H2,1-6H3;4-5,7-12H,1-3H3;4-10,12H,1-3H3;3*4-7,9-11H,1-3H3;;;/q6*-1;;;.

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

[6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-3-pyridinyl]-trimethylsilane;[6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]silane;tris(trimethyl-(6-phenyl-3-pyridinyl)silane) has a molecular weight of 2278.24 g/mol, XLogP of 23.95, 14 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]-trimethylsilane;[6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]silane;tris(trimethyl-(6-phenyl-3-pyridinyl)silane) is sourced from PubChem (CID 158870290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).