[4-(2-bicyclo[2.2.2]octanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+)

C54H58GeIrN3O — CID 167333000

About [4-(2-bicyclo[2.2.2]octanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+)

[4-(2-bicyclo[2.2.2]octanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+) (PubChem CID 167333000) has the molecular formula C54H58GeIrN3O and a molecular weight of 1029.90 g/mol. Its IUPAC name is [4-(2-bicyclo[2.2.2]octanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+).

Molecular Properties

• Compound Name: [4-(2-bicyclo[2.2.2]octanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+)
• PubChem CID: 167333000
• Molecular Formula: C54H58GeIrN3O
• Molecular Weight: 1029.90 g/mol
• Exact Mass: 1031.34
• IUPAC Name: [4-(2-bicyclo[2.2.2]octanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+)
• SMILES: CC(C)c1cccc(C(C)C)c1N1c2ccccc2[N-]C1c1[c-]ccc2c1oc1ccccc12.C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CC2CCC1CC2.[Ir+3]
• InChI: InChI=1S/C31H28N2O.C23H30GeN.Ir/c1-19(2)21-12-9-13-22(20(3)4)29(21)33-27-17-7-6-16-26(27)32-31(33)25-15-10-14-24-23-11-5-8-18-28(23)34-30(24)25;1-24(2,3)22-16-25-23(19-7-5-4-6-8-19)15-21(22)14-20-13-17-9-11-18(20)12-10-17;/h5-14,16-20,31H,1-4H3;4-7,15-18,20H,9-14H2,1-3H3;/q-2;-1;+3
• InChIKey: NUJMISLOUQZGTI-UHFFFAOYSA-N
• XLogP: 14.95
• TPSA: 43.37 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1029.90
LogP ≤ 5	14.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(2-bicyclo[2.2.2]octanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+)?

The IUPAC name of [4-(2-bicyclo[2.2.2]octanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+) (CID 167333000) is [4-(2-bicyclo[2.2.2]octanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+).

What is the SMILES notation for [4-(2-bicyclo[2.2.2]octanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+)?

The canonical SMILES for [4-(2-bicyclo[2.2.2]octanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+) is CC(C)c1cccc(C(C)C)c1N1c2ccccc2[N-]C1c1[c-]ccc2c1oc1ccccc12.C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CC2CCC1CC2.[Ir+3].

What is the InChIKey of [4-(2-bicyclo[2.2.2]octanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+)?

The InChIKey is NUJMISLOUQZGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2O.C23H30GeN.Ir/c1-19(2)21-12-9-13-22(20(3)4)29(21)33-27-17-7-6-16-26(27)32-31(33)25-15-10-14-24-23-11-5-8-18-28(23)34-30(24)25;1-24(2,3)22-16-25-23(19-7-5-4-6-8-19)15-21(22)14-20-13-17-9-11-18(20)12-10-17;/h5-14,16-20,31H,1-4H3;4-7,15-18,20H,9-14H2,1-3H3;/q-2;-1;+3.

What are the key properties of [4-(2-bicyclo[2.2.2]octanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+)?

[4-(2-bicyclo[2.2.2]octanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+) has a molecular weight of 1029.90 g/mol, XLogP of 14.95, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-bicyclo[2.2.2]octanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+) is sourced from PubChem (CID 167333000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).