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

C46H46GeIrN4O-2 — CID 156669203

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

3-(1-benzylbenzimidazol-2-yl)-7-propan-2-yl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (PubChem CID 156669203) has the molecular formula C46H46GeIrN4O-2 and a molecular weight of 935.73 g/mol. Its IUPAC name is 3-(1-benzylbenzimidazol-2-yl)-7-propan-2-yl-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-benzylbenzimidazol-2-yl)-7-propan-2-yl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
• PubChem CID: 156669203
• Molecular Formula: C46H46GeIrN4O-2
• Molecular Weight: 935.73 g/mol
• Exact Mass: 937.25
• IUPAC Name: 3-(1-benzylbenzimidazol-2-yl)-7-propan-2-yl-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.CC(C)c1ccc2c(c1)oc1n[c-]c(-c3nc4ccccc4n3Cc3ccccc3)cc12.[Ir]
• InChI: InChI=1S/C28H22N3O.C18H24GeN.Ir/c1-18(2)20-12-13-22-23-14-21(16-29-28(23)32-26(22)15-20)27-30-24-10-6-7-11-25(24)31(27)17-19-8-4-3-5-9-19;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h3-15,18H,17H2,1-2H3;6-9,12-14H,11H2,1-5H3;/q2*-1
• InChIKey: BDVQPWWEQFWTOE-UHFFFAOYSA-N
• XLogP: 11.26
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	935.73
LogP ≤ 5	11.26
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-benzylbenzimidazol-2-yl)-7-propan-2-yl-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-benzylbenzimidazol-2-yl)-7-propan-2-yl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (CID 156669203) is 3-(1-benzylbenzimidazol-2-yl)-7-propan-2-yl-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-benzylbenzimidazol-2-yl)-7-propan-2-yl-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-benzylbenzimidazol-2-yl)-7-propan-2-yl-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.CC(C)c1ccc2c(c1)oc1n[c-]c(-c3nc4ccccc4n3Cc3ccccc3)cc12.[Ir].

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

The InChIKey is BDVQPWWEQFWTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N3O.C18H24GeN.Ir/c1-18(2)20-12-13-22-23-14-21(16-29-28(23)32-26(22)15-20)27-30-24-10-6-7-11-25(24)31(27)17-19-8-4-3-5-9-19;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h3-15,18H,17H2,1-2H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.

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

3-(1-benzylbenzimidazol-2-yl)-7-propan-2-yl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane has a molecular weight of 935.73 g/mol, XLogP of 11.26, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-benzylbenzimidazol-2-yl)-7-propan-2-yl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is sourced from PubChem (CID 156669203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).