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

C51H56GeIrN4O-2 — CID 156668337

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

6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (PubChem CID 156668337) has the molecular formula C51H56GeIrN4O-2 and a molecular weight of 1005.86 g/mol. Its IUPAC name is 6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

Molecular Properties

• Compound Name: 6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
• PubChem CID: 156668337
• Molecular Formula: C51H56GeIrN4O-2
• Molecular Weight: 1005.86 g/mol
• Exact Mass: 1007.33
• IUPAC Name: 6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-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(n1)oc1c[c-]c(-c3nc4ccccc4n3-c3c(C(C)C)cccc3C(C)C)cc12.[Ir]
• InChI: InChI=1S/C33H32N3O.C18H24GeN.Ir/c1-19(2)23-10-9-11-24(20(3)4)31(23)36-29-13-8-7-12-28(29)34-32(36)22-14-17-30-26(18-22)25-15-16-27(21(5)6)35-33(25)37-30;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h7-13,15-21H,1-6H3;6-9,12-14H,11H2,1-5H3;/q2*-1
• InChIKey: SCBLIHQULKYIGY-UHFFFAOYSA-N
• XLogP: 13.45
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1005.86
LogP ≤ 5	13.45
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-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The IUPAC name of 6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (CID 156668337) is 6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

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

The canonical SMILES for 6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-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(n1)oc1c[c-]c(-c3nc4ccccc4n3-c3c(C(C)C)cccc3C(C)C)cc12.[Ir].

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

The InChIKey is SCBLIHQULKYIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N3O.C18H24GeN.Ir/c1-19(2)23-10-9-11-24(20(3)4)31(23)36-29-13-8-7-12-28(29)34-32(36)22-14-17-30-26(18-22)25-15-16-27(21(5)6)35-33(25)37-30;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h7-13,15-21H,1-6H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.

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

6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane has a molecular weight of 1005.86 g/mol, XLogP of 13.45, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is sourced from PubChem (CID 156668337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).