iridium;2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2-phenyl-5-trimethylsilyl-4-pyridinyl)benzonitrile

C58H51IrN5OSi-2 — CID 156672326

About iridium;2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2-phenyl-5-trimethylsilyl-4-pyridinyl)benzonitrile

iridium;2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2-phenyl-5-trimethylsilyl-4-pyridinyl)benzonitrile (PubChem CID 156672326) has the molecular formula C58H51IrN5OSi-2 and a molecular weight of 1054.38 g/mol. Its IUPAC name is iridium;2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2-phenyl-5-trimethylsilyl-4-pyridinyl)benzonitrile.

Molecular Properties

• Compound Name: iridium;2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2-phenyl-5-trimethylsilyl-4-pyridinyl)benzonitrile
• PubChem CID: 156672326
• Molecular Formula: C58H51IrN5OSi-2
• Molecular Weight: 1054.38 g/mol
• Exact Mass: 1054.35
• IUPAC Name: iridium;2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2-phenyl-5-trimethylsilyl-4-pyridinyl)benzonitrile
• SMILES: C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1-c1ccccc1C#N.Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)[c-]ccc12.[Ir]
• InChI: InChI=1S/C37H32N3O.C21H19N2Si.Ir/c1-22(2)30-20-26(25-12-7-6-8-13-25)21-31(23(3)4)34(30)40-33-17-10-9-16-32(33)39-36(40)29-15-11-14-27-28-19-18-24(5)38-37(28)41-35(27)29;1-24(2,3)21-15-23-20(16-9-5-4-6-10-16)13-19(21)18-12-8-7-11-17(18)14-22;/h6-14,16-23H,1-5H3;4-9,11-13,15H,1-3H3;/q2*-1
• InChIKey: FTNQBXPTQOBCRL-UHFFFAOYSA-N
• XLogP: 14.64
• TPSA: 80.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1054.38
LogP ≤ 5	14.64
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 iridium;2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2-phenyl-5-trimethylsilyl-4-pyridinyl)benzonitrile?

The IUPAC name of iridium;2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2-phenyl-5-trimethylsilyl-4-pyridinyl)benzonitrile (CID 156672326) is iridium;2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2-phenyl-5-trimethylsilyl-4-pyridinyl)benzonitrile.

What is the SMILES notation for iridium;2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2-phenyl-5-trimethylsilyl-4-pyridinyl)benzonitrile?

The canonical SMILES for iridium;2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2-phenyl-5-trimethylsilyl-4-pyridinyl)benzonitrile is C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1-c1ccccc1C#N.Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)[c-]ccc12.[Ir].

What is the InChIKey of iridium;2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2-phenyl-5-trimethylsilyl-4-pyridinyl)benzonitrile?

The InChIKey is FTNQBXPTQOBCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N3O.C21H19N2Si.Ir/c1-22(2)30-20-26(25-12-7-6-8-13-25)21-31(23(3)4)34(30)40-33-17-10-9-16-32(33)39-36(40)29-15-11-14-27-28-19-18-24(5)38-37(28)41-35(27)29;1-24(2,3)21-15-23-20(16-9-5-4-6-10-16)13-19(21)18-12-8-7-11-17(18)14-22;/h6-14,16-23H,1-5H3;4-9,11-13,15H,1-3H3;/q2*-1;.

What are the key properties of iridium;2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2-phenyl-5-trimethylsilyl-4-pyridinyl)benzonitrile?

iridium;2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2-phenyl-5-trimethylsilyl-4-pyridinyl)benzonitrile has a molecular weight of 1054.38 g/mol, XLogP of 14.64, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2-phenyl-5-trimethylsilyl-4-pyridinyl)benzonitrile is sourced from PubChem (CID 156672326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).