6-(1-tert-butylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

C37H36GeIrN4O-2 — CID 156672335

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

6-(1-tert-butylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (PubChem CID 156672335) has the molecular formula C37H36GeIrN4O-2 and a molecular weight of 817.55 g/mol. Its IUPAC name is 6-(1-tert-butylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.

Molecular Properties

• Compound Name: 6-(1-tert-butylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
• PubChem CID: 156672335
• Molecular Formula: C37H36GeIrN4O-2
• Molecular Weight: 817.55 g/mol
• Exact Mass: 819.17
• IUPAC Name: 6-(1-tert-butylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
• SMILES: C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1ccc2c(n1)oc1c[c-]c(-c3nc4ccccc4n3C(C)(C)C)cc12.[Ir]
• InChI: InChI=1S/C23H20N3O.C14H16GeN.Ir/c1-14-9-11-16-17-13-15(10-12-20(17)27-22(16)24-14)21-25-18-7-5-6-8-19(18)26(21)23(2,3)4;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h5-9,11-13H,1-4H3;4-7,9-11H,1-3H3;/q2*-1
• InChIKey: AXIGPVFEYQZPJH-UHFFFAOYSA-N
• XLogP: 8.95
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	817.55
LogP ≤ 5	8.95
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 6-(1-tert-butylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?

The IUPAC name of 6-(1-tert-butylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (CID 156672335) is 6-(1-tert-butylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.

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

The canonical SMILES for 6-(1-tert-butylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1ccc2c(n1)oc1c[c-]c(-c3nc4ccccc4n3C(C)(C)C)cc12.[Ir].

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

The InChIKey is AXIGPVFEYQZPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N3O.C14H16GeN.Ir/c1-14-9-11-16-17-13-15(10-12-20(17)27-22(16)24-14)21-25-18-7-5-6-8-19(18)26(21)23(2,3)4;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h5-9,11-13H,1-4H3;4-7,9-11H,1-3H3;/q2*-1;.

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

6-(1-tert-butylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane has a molecular weight of 817.55 g/mol, XLogP of 8.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-tert-butylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 156672335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).