iridium;2-methyl-6-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)silane

C45H36IrN4OSi-2 — CID 156671887

About iridium;2-methyl-6-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)silane

iridium;2-methyl-6-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)silane (PubChem CID 156671887) has the molecular formula C45H36IrN4OSi-2 and a molecular weight of 869.11 g/mol. Its IUPAC name is iridium;2-methyl-6-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)silane.

Molecular Properties

• Compound Name: iridium;2-methyl-6-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)silane
• PubChem CID: 156671887
• Molecular Formula: C45H36IrN4OSi-2
• Molecular Weight: 869.11 g/mol
• Exact Mass: 869.23
• IUPAC Name: iridium;2-methyl-6-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)silane
• SMILES: C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1ccc2c(n1)oc1c[c-]c(-c3nc4ccccc4n3-c3ccccc3-c3ccccc3)cc12.[Ir]
• InChI: InChI=1S/C31H20N3O.C14H16NSi.Ir/c1-20-15-17-24-25-19-22(16-18-29(25)35-31(24)32-20)30-33-26-12-6-8-14-28(26)34(30)27-13-7-5-11-23(27)21-9-3-2-4-10-21;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h2-15,17-19H,1H3;4-7,9-11H,1-3H3;/q2*-1
• InChIKey: GNDIMXYNZYKEJC-UHFFFAOYSA-N
• XLogP: 10.85
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	869.11
LogP ≤ 5	10.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-6-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)silane?

The IUPAC name of iridium;2-methyl-6-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)silane (CID 156671887) is iridium;2-methyl-6-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)silane.

What is the SMILES notation for iridium;2-methyl-6-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)silane?

The canonical SMILES for iridium;2-methyl-6-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)silane is C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1ccc2c(n1)oc1c[c-]c(-c3nc4ccccc4n3-c3ccccc3-c3ccccc3)cc12.[Ir].

What is the InChIKey of iridium;2-methyl-6-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)silane?

The InChIKey is GNDIMXYNZYKEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N3O.C14H16NSi.Ir/c1-20-15-17-24-25-19-22(16-18-29(25)35-31(24)32-20)30-33-26-12-6-8-14-28(26)34(30)27-13-7-5-11-23(27)21-9-3-2-4-10-21;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h2-15,17-19H,1H3;4-7,9-11H,1-3H3;/q2*-1;.

What are the key properties of iridium;2-methyl-6-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)silane?

iridium;2-methyl-6-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)silane has a molecular weight of 869.11 g/mol, XLogP of 10.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;2-methyl-6-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 156671887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).