5-tert-butyl-2-(4-fluoro-2-methanidylphenyl)-1-methanidylpyridin-1-ium;6-[1-[2,6-di(propan-2-yl)-4-(4-trimethylgermylphenyl)phenyl]benzimidazol-2-yl]-1-fluoro-7H-dibenzofuran-7-ide-3-carbonitrile;iridium(3+)

C58H56F2GeIrN4O+ — CID 176720707

About 5-tert-butyl-2-(4-fluoro-2-methanidylphenyl)-1-methanidylpyridin-1-ium;6-[1-[2,6-di(propan-2-yl)-4-(4-trimethylgermylphenyl)phenyl]benzimidazol-2-yl]-1-fluoro-7H-dibenzofuran-7-ide-3-carbonitrile;iridium(3+)

5-tert-butyl-2-(4-fluoro-2-methanidylphenyl)-1-methanidylpyridin-1-ium;6-[1-[2,6-di(propan-2-yl)-4-(4-trimethylgermylphenyl)phenyl]benzimidazol-2-yl]-1-fluoro-7H-dibenzofuran-7-ide-3-carbonitrile;iridium(3+) (PubChem CID 176720707) has the molecular formula C58H56F2GeIrN4O+ and a molecular weight of 1127.94 g/mol. Its IUPAC name is 5-tert-butyl-2-(4-fluoro-2-methanidylphenyl)-1-methanidylpyridin-1-ium;6-[1-[2,6-di(propan-2-yl)-4-(4-trimethylgermylphenyl)phenyl]benzimidazol-2-yl]-1-fluoro-7H-dibenzofuran-7-ide-3-carbonitrile;iridium(3+).

Molecular Properties

• Compound Name: 5-tert-butyl-2-(4-fluoro-2-methanidylphenyl)-1-methanidylpyridin-1-ium;6-[1-[2,6-di(propan-2-yl)-4-(4-trimethylgermylphenyl)phenyl]benzimidazol-2-yl]-1-fluoro-7H-dibenzofuran-7-ide-3-carbonitrile;iridium(3+)
• PubChem CID: 176720707
• Molecular Formula: C58H56F2GeIrN4O+
• Molecular Weight: 1127.94 g/mol
• Exact Mass: 1129.33
• IUPAC Name: 5-tert-butyl-2-(4-fluoro-2-methanidylphenyl)-1-methanidylpyridin-1-ium;6-[1-[2,6-di(propan-2-yl)-4-(4-trimethylgermylphenyl)phenyl]benzimidazol-2-yl]-1-fluoro-7H-dibenzofuran-7-ide-3-carbonitrile;iridium(3+)
• SMILES: CC(C)c1cc(-c2ccc([Ge](C)(C)C)cc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(C#N)cc(F)c23)nc2ccccc21.[CH2-]c1cc(F)ccc1-c1ccc(C(C)(C)C)c[n+]1[CH2-].[Ir+3]
• InChI: InChI=1S/C41H37FGeN3O.C17H19FN.Ir/c1-24(2)32-21-28(27-15-17-29(18-16-27)43(5,6)7)22-33(25(3)4)39(32)46-36-14-9-8-13-35(36)45-41(46)31-12-10-11-30-38-34(42)19-26(23-44)20-37(38)47-40(30)31;1-12-10-14(18)7-8-15(12)16-9-6-13(11-19(16)5)17(2,3)4;/h8-11,13-22,24-25H,1-7H3;6-11H,1,5H2,2-4H3;/q2*-1;+3
• InChIKey: DLNABLIUQAYYAJ-UHFFFAOYSA-N
• XLogP: 14.76
• TPSA: 58.63 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1127.94
LogP ≤ 5	14.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(4-fluoro-2-methanidylphenyl)-1-methanidylpyridin-1-ium;6-[1-[2,6-di(propan-2-yl)-4-(4-trimethylgermylphenyl)phenyl]benzimidazol-2-yl]-1-fluoro-7H-dibenzofuran-7-ide-3-carbonitrile;iridium(3+)?

The IUPAC name of 5-tert-butyl-2-(4-fluoro-2-methanidylphenyl)-1-methanidylpyridin-1-ium;6-[1-[2,6-di(propan-2-yl)-4-(4-trimethylgermylphenyl)phenyl]benzimidazol-2-yl]-1-fluoro-7H-dibenzofuran-7-ide-3-carbonitrile;iridium(3+) (CID 176720707) is 5-tert-butyl-2-(4-fluoro-2-methanidylphenyl)-1-methanidylpyridin-1-ium;6-[1-[2,6-di(propan-2-yl)-4-(4-trimethylgermylphenyl)phenyl]benzimidazol-2-yl]-1-fluoro-7H-dibenzofuran-7-ide-3-carbonitrile;iridium(3+).

What is the SMILES notation for 5-tert-butyl-2-(4-fluoro-2-methanidylphenyl)-1-methanidylpyridin-1-ium;6-[1-[2,6-di(propan-2-yl)-4-(4-trimethylgermylphenyl)phenyl]benzimidazol-2-yl]-1-fluoro-7H-dibenzofuran-7-ide-3-carbonitrile;iridium(3+)?

The canonical SMILES for 5-tert-butyl-2-(4-fluoro-2-methanidylphenyl)-1-methanidylpyridin-1-ium;6-[1-[2,6-di(propan-2-yl)-4-(4-trimethylgermylphenyl)phenyl]benzimidazol-2-yl]-1-fluoro-7H-dibenzofuran-7-ide-3-carbonitrile;iridium(3+) is CC(C)c1cc(-c2ccc([Ge](C)(C)C)cc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(C#N)cc(F)c23)nc2ccccc21.[CH2-]c1cc(F)ccc1-c1ccc(C(C)(C)C)c[n+]1[CH2-].[Ir+3].

What is the InChIKey of 5-tert-butyl-2-(4-fluoro-2-methanidylphenyl)-1-methanidylpyridin-1-ium;6-[1-[2,6-di(propan-2-yl)-4-(4-trimethylgermylphenyl)phenyl]benzimidazol-2-yl]-1-fluoro-7H-dibenzofuran-7-ide-3-carbonitrile;iridium(3+)?

The InChIKey is DLNABLIUQAYYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H37FGeN3O.C17H19FN.Ir/c1-24(2)32-21-28(27-15-17-29(18-16-27)43(5,6)7)22-33(25(3)4)39(32)46-36-14-9-8-13-35(36)45-41(46)31-12-10-11-30-38-34(42)19-26(23-44)20-37(38)47-40(30)31;1-12-10-14(18)7-8-15(12)16-9-6-13(11-19(16)5)17(2,3)4;/h8-11,13-22,24-25H,1-7H3;6-11H,1,5H2,2-4H3;/q2*-1;+3.

What are the key properties of 5-tert-butyl-2-(4-fluoro-2-methanidylphenyl)-1-methanidylpyridin-1-ium;6-[1-[2,6-di(propan-2-yl)-4-(4-trimethylgermylphenyl)phenyl]benzimidazol-2-yl]-1-fluoro-7H-dibenzofuran-7-ide-3-carbonitrile;iridium(3+)?

5-tert-butyl-2-(4-fluoro-2-methanidylphenyl)-1-methanidylpyridin-1-ium;6-[1-[2,6-di(propan-2-yl)-4-(4-trimethylgermylphenyl)phenyl]benzimidazol-2-yl]-1-fluoro-7H-dibenzofuran-7-ide-3-carbonitrile;iridium(3+) has a molecular weight of 1127.94 g/mol, XLogP of 14.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-2-(4-fluoro-2-methanidylphenyl)-1-methanidylpyridin-1-ium;6-[1-[2,6-di(propan-2-yl)-4-(4-trimethylgermylphenyl)phenyl]benzimidazol-2-yl]-1-fluoro-7H-dibenzofuran-7-ide-3-carbonitrile;iridium(3+) is sourced from PubChem (CID 176720707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).