3-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-5-methyl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

C59H56GeIrN4O-2 — CID 176644236

About 3-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-5-methyl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

3-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-5-methyl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (PubChem CID 176644236) has the molecular formula C59H56GeIrN4O-2 and a molecular weight of 1101.95 g/mol. Its IUPAC name is 3-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-5-methyl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

Molecular Properties

• Compound Name: 3-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-5-methyl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
• PubChem CID: 176644236
• Molecular Formula: C59H56GeIrN4O-2
• Molecular Weight: 1101.95 g/mol
• Exact Mass: 1103.33
• IUPAC Name: 3-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-5-methyl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
• SMILES: CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1cccc2oc3n[c-]c(-c4nc5ccccc5n4-c4c(-c5ccccc5)cc(C(C)(C)C)cc4-c4ccccc4)cc3c12.[Ir]
• InChI: InChI=1S/C41H32N3O.C18H24GeN.Ir/c1-26-14-13-21-36-37(26)33-22-29(25-42-40(33)45-36)39-43-34-19-11-12-20-35(34)44(39)38-31(27-15-7-5-8-16-27)23-30(41(2,3)4)24-32(38)28-17-9-6-10-18-28;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h5-24H,1-4H3;6-9,12-14H,11H2,1-5H3;/q2*-1
• InChIKey: OOCHKQNGUCEMTN-UHFFFAOYSA-N
• XLogP: 15.02
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1101.95
LogP ≤ 5	15.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-5-methyl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The IUPAC name of 3-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-5-methyl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (CID 176644236) is 3-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-5-methyl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

What is the SMILES notation for 3-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-5-methyl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The canonical SMILES for 3-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-5-methyl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1cccc2oc3n[c-]c(-c4nc5ccccc5n4-c4c(-c5ccccc5)cc(C(C)(C)C)cc4-c4ccccc4)cc3c12.[Ir].

What is the InChIKey of 3-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-5-methyl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The InChIKey is OOCHKQNGUCEMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32N3O.C18H24GeN.Ir/c1-26-14-13-21-36-37(26)33-22-29(25-42-40(33)45-36)39-43-34-19-11-12-20-35(34)44(39)38-31(27-15-7-5-8-16-27)23-30(41(2,3)4)24-32(38)28-17-9-6-10-18-28;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h5-24H,1-4H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.

What are the key properties of 3-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-5-methyl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

3-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-5-methyl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane has a molecular weight of 1101.95 g/mol, XLogP of 15.02, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-5-methyl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is sourced from PubChem (CID 176644236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).