8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-5-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

C55H56GeIrN4O-2 — CID 156672161

About 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-5-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-5-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (PubChem CID 156672161) has the molecular formula C55H56GeIrN4O-2 and a molecular weight of 1053.91 g/mol. Its IUPAC name is 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-5-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: 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-5-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
• PubChem CID: 156672161
• Molecular Formula: C55H56GeIrN4O-2
• Molecular Weight: 1053.91 g/mol
• Exact Mass: 1055.33
• IUPAC Name: 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-5-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)c1c[c-]c(-c2nc3ccccc3n2-c2ccc(-c3ccccc3)cc2C(C)(C)C)c2oc3ncccc3c12.[Ir]
• InChI: InChI=1S/C37H32N3O.C18H24GeN.Ir/c1-23(2)26-18-19-28(34-33(26)27-14-11-21-38-36(27)41-34)35-39-30-15-9-10-16-32(30)40(35)31-20-17-25(22-29(31)37(3,4)5)24-12-7-6-8-13-24;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h6-18,20-23H,1-5H3;6-9,12-14H,11H2,1-5H3;/q2*-1
• InChIKey: GMAQEOABDFXKCE-UHFFFAOYSA-N
• XLogP: 14.16
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1053.91
LogP ≤ 5	14.16
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 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-5-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 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-5-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (CID 156672161) is 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-5-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 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-5-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 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-5-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)c1c[c-]c(-c2nc3ccccc3n2-c2ccc(-c3ccccc3)cc2C(C)(C)C)c2oc3ncccc3c12.[Ir].

What is the InChIKey of 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-5-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 GMAQEOABDFXKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N3O.C18H24GeN.Ir/c1-23(2)26-18-19-28(34-33(26)27-14-11-21-38-36(27)41-34)35-39-30-15-9-10-16-32(30)40(35)31-20-17-25(22-29(31)37(3,4)5)24-12-7-6-8-13-24;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h6-18,20-23H,1-5H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.

What are the key properties of 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-5-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-5-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 1053.91 g/mol, XLogP of 14.16, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-5-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 156672161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).