8-[3-(2,6-diphenylphenyl)-4-methylimidazo[4,5-c]pyridin-2-yl]-2-(3-methylbutan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]silane

C58H55IrN5OSi-2 — CID 156671279

About 8-[3-(2,6-diphenylphenyl)-4-methylimidazo[4,5-c]pyridin-2-yl]-2-(3-methylbutan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]silane

8-[3-(2,6-diphenylphenyl)-4-methylimidazo[4,5-c]pyridin-2-yl]-2-(3-methylbutan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]silane (PubChem CID 156671279) has the molecular formula C58H55IrN5OSi-2 and a molecular weight of 1058.41 g/mol. Its IUPAC name is 8-[3-(2,6-diphenylphenyl)-4-methylimidazo[4,5-c]pyridin-2-yl]-2-(3-methylbutan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]silane.

Molecular Properties

• Compound Name: 8-[3-(2,6-diphenylphenyl)-4-methylimidazo[4,5-c]pyridin-2-yl]-2-(3-methylbutan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]silane
• PubChem CID: 156671279
• Molecular Formula: C58H55IrN5OSi-2
• Molecular Weight: 1058.41 g/mol
• Exact Mass: 1058.38
• IUPAC Name: 8-[3-(2,6-diphenylphenyl)-4-methylimidazo[4,5-c]pyridin-2-yl]-2-(3-methylbutan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]silane
• SMILES: CC(C)c1c[c-]c(-c2ccc([Si](C)(C)C)cn2)cc1.Cc1nccc2nc(-c3[c-]ccc4c3oc3nc(C(C)C(C)C)ccc34)n(-c3c(-c4ccccc4)cccc3-c3ccccc3)c12.[Ir]
• InChI: InChI=1S/C41H33N4O.C17H22NSi.Ir/c1-25(2)26(3)35-22-21-33-32-19-12-20-34(39(32)46-41(33)44-35)40-43-36-23-24-42-27(4)37(36)45(40)38-30(28-13-7-5-8-14-28)17-11-18-31(38)29-15-9-6-10-16-29;1-13(2)14-6-8-15(9-7-14)17-11-10-16(12-18-17)19(3,4)5;/h5-19,21-26H,1-4H3;6-8,10-13H,1-5H3;/q2*-1
• InChIKey: BTVGMWRGCPRHIF-UHFFFAOYSA-N
• XLogP: 14.80
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1058.41
LogP ≤ 5	14.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 8-[3-(2,6-diphenylphenyl)-4-methylimidazo[4,5-c]pyridin-2-yl]-2-(3-methylbutan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]silane?

The IUPAC name of 8-[3-(2,6-diphenylphenyl)-4-methylimidazo[4,5-c]pyridin-2-yl]-2-(3-methylbutan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]silane (CID 156671279) is 8-[3-(2,6-diphenylphenyl)-4-methylimidazo[4,5-c]pyridin-2-yl]-2-(3-methylbutan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]silane.

What is the SMILES notation for 8-[3-(2,6-diphenylphenyl)-4-methylimidazo[4,5-c]pyridin-2-yl]-2-(3-methylbutan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]silane?

The canonical SMILES for 8-[3-(2,6-diphenylphenyl)-4-methylimidazo[4,5-c]pyridin-2-yl]-2-(3-methylbutan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]silane is CC(C)c1c[c-]c(-c2ccc([Si](C)(C)C)cn2)cc1.Cc1nccc2nc(-c3[c-]ccc4c3oc3nc(C(C)C(C)C)ccc34)n(-c3c(-c4ccccc4)cccc3-c3ccccc3)c12.[Ir].

What is the InChIKey of 8-[3-(2,6-diphenylphenyl)-4-methylimidazo[4,5-c]pyridin-2-yl]-2-(3-methylbutan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]silane?

The InChIKey is BTVGMWRGCPRHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H33N4O.C17H22NSi.Ir/c1-25(2)26(3)35-22-21-33-32-19-12-20-34(39(32)46-41(33)44-35)40-43-36-23-24-42-27(4)37(36)45(40)38-30(28-13-7-5-8-14-28)17-11-18-31(38)29-15-9-6-10-16-29;1-13(2)14-6-8-15(9-7-14)17-11-10-16(12-18-17)19(3,4)5;/h5-19,21-26H,1-4H3;6-8,10-13H,1-5H3;/q2*-1;.

What are the key properties of 8-[3-(2,6-diphenylphenyl)-4-methylimidazo[4,5-c]pyridin-2-yl]-2-(3-methylbutan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]silane?

8-[3-(2,6-diphenylphenyl)-4-methylimidazo[4,5-c]pyridin-2-yl]-2-(3-methylbutan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]silane has a molecular weight of 1058.41 g/mol, XLogP of 14.80, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-(2,6-diphenylphenyl)-4-methylimidazo[4,5-c]pyridin-2-yl]-2-(3-methylbutan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]silane is sourced from PubChem (CID 156671279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).