4-(1-benzylbenzimidazol-2-yl)-7-methyl-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

C40H34GeIrN4O-2 — CID 156672209

About 4-(1-benzylbenzimidazol-2-yl)-7-methyl-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

4-(1-benzylbenzimidazol-2-yl)-7-methyl-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (PubChem CID 156672209) has the molecular formula C40H34GeIrN4O-2 and a molecular weight of 851.57 g/mol. Its IUPAC name is 4-(1-benzylbenzimidazol-2-yl)-7-methyl-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.

Molecular Properties

• Compound Name: 4-(1-benzylbenzimidazol-2-yl)-7-methyl-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
• PubChem CID: 156672209
• Molecular Formula: C40H34GeIrN4O-2
• Molecular Weight: 851.57 g/mol
• Exact Mass: 853.16
• IUPAC Name: 4-(1-benzylbenzimidazol-2-yl)-7-methyl-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
• SMILES: C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1ccc2c(c1)oc1c(-c3nc4ccccc4n3Cc3ccccc3)[c-]cnc12.[Ir]
• InChI: InChI=1S/C26H18N3O.C14H16GeN.Ir/c1-17-11-12-19-23(15-17)30-25-20(13-14-27-24(19)25)26-28-21-9-5-6-10-22(21)29(26)16-18-7-3-2-4-8-18;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h2-12,14-15H,16H2,1H3;4-7,9-11H,1-3H3;/q2*-1
• InChIKey: GVUCIXHAIZTKFB-UHFFFAOYSA-N
• XLogP: 9.25
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	851.57
LogP ≤ 5	9.25
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 4-(1-benzylbenzimidazol-2-yl)-7-methyl-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?

The IUPAC name of 4-(1-benzylbenzimidazol-2-yl)-7-methyl-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (CID 156672209) is 4-(1-benzylbenzimidazol-2-yl)-7-methyl-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.

What is the SMILES notation for 4-(1-benzylbenzimidazol-2-yl)-7-methyl-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?

The canonical SMILES for 4-(1-benzylbenzimidazol-2-yl)-7-methyl-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1ccc2c(c1)oc1c(-c3nc4ccccc4n3Cc3ccccc3)[c-]cnc12.[Ir].

What is the InChIKey of 4-(1-benzylbenzimidazol-2-yl)-7-methyl-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?

The InChIKey is GVUCIXHAIZTKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N3O.C14H16GeN.Ir/c1-17-11-12-19-23(15-17)30-25-20(13-14-27-24(19)25)26-28-21-9-5-6-10-22(21)29(26)16-18-7-3-2-4-8-18;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h2-12,14-15H,16H2,1H3;4-7,9-11H,1-3H3;/q2*-1;.

What are the key properties of 4-(1-benzylbenzimidazol-2-yl)-7-methyl-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?

4-(1-benzylbenzimidazol-2-yl)-7-methyl-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane has a molecular weight of 851.57 g/mol, XLogP of 9.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-benzylbenzimidazol-2-yl)-7-methyl-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 156672209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).