2-(3-fluorobenzene-6-id-1-yl)-3,3-dimethylindole;1-(4-fluorobenzene-6-id-1-yl)indazole;5-fluoro-1-(3-fluorobenzene-6-id-1-yl)indazole;pentakis(iridium);1-phenylindazole;3-[3-(trifluoromethyl)benzene-6-id-1-yl]-1-[4-(trifluoromethyl)phenyl]indazole

C76H48F10Ir5N9-5 — CID 157286542

About 2-(3-fluorobenzene-6-id-1-yl)-3,3-dimethylindole;1-(4-fluorobenzene-6-id-1-yl)indazole;5-fluoro-1-(3-fluorobenzene-6-id-1-yl)indazole;pentakis(iridium);1-phenylindazole;3-[3-(trifluoromethyl)benzene-6-id-1-yl]-1-[4-(trifluoromethyl)phenyl]indazole

2-(3-fluorobenzene-6-id-1-yl)-3,3-dimethylindole;1-(4-fluorobenzene-6-id-1-yl)indazole;5-fluoro-1-(3-fluorobenzene-6-id-1-yl)indazole;pentakis(iridium);1-phenylindazole;3-[3-(trifluoromethyl)benzene-6-id-1-yl]-1-[4-(trifluoromethyl)phenyl]indazole (PubChem CID 157286542) has the molecular formula C76H48F10Ir5N9-5 and a molecular weight of 2238.35 g/mol. Its IUPAC name is 2-(3-fluorobenzene-6-id-1-yl)-3,3-dimethylindole;1-(4-fluorobenzene-6-id-1-yl)indazole;5-fluoro-1-(3-fluorobenzene-6-id-1-yl)indazole;pentakis(iridium);1-phenylindazole;3-[3-(trifluoromethyl)benzene-6-id-1-yl]-1-[4-(trifluoromethyl)phenyl]indazole.

Molecular Properties

• Compound Name: 2-(3-fluorobenzene-6-id-1-yl)-3,3-dimethylindole;1-(4-fluorobenzene-6-id-1-yl)indazole;5-fluoro-1-(3-fluorobenzene-6-id-1-yl)indazole;pentakis(iridium);1-phenylindazole;3-[3-(trifluoromethyl)benzene-6-id-1-yl]-1-[4-(trifluoromethyl)phenyl]indazole
• PubChem CID: 157286542
• Molecular Formula: C76H48F10Ir5N9-5
• Molecular Weight: 2238.35 g/mol
• Exact Mass: 2241.20
• IUPAC Name: 2-(3-fluorobenzene-6-id-1-yl)-3,3-dimethylindole;1-(4-fluorobenzene-6-id-1-yl)indazole;5-fluoro-1-(3-fluorobenzene-6-id-1-yl)indazole;pentakis(iridium);1-phenylindazole;3-[3-(trifluoromethyl)benzene-6-id-1-yl]-1-[4-(trifluoromethyl)phenyl]indazole
• SMILES: CC1(C)C(c2[c-]ccc(F)c2)=Nc2ccccc21.FC(F)(F)c1ccc(-n2nc(-c3[c-]ccc(C(F)(F)F)c3)c3ccccc32)cc1.Fc1c[c-]c(-n2ncc3ccccc32)cc1.Fc1cc[c-]c(-n2ncc3cc(F)ccc32)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-n1ncc2ccccc21
• InChI: InChI=1S/C21H11F6N2.C16H13FN.C13H7F2N2.C13H8FN2.C13H9N2.5Ir/c22-20(23,24)14-8-10-16(11-9-14)29-18-7-2-1-6-17(18)19(28-29)13-4-3-5-15(12-13)21(25,26)27;1-16(2)13-8-3-4-9-14(13)18-15(16)11-6-5-7-12(17)10-11;14-10-2-1-3-12(7-10)17-13-5-4-11(15)6-9(13)8-16-17;14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15-16;1-2-7-12(8-3-1)15-13-9-5-4-6-11(13)10-14-15;;;;;/h1-3,5-12H;3-5,7-10H,1-2H3;1-2,4-8H;1-7,9H;1-7,9-10H;;;;;/q5*-1
• InChIKey: BWIZBVOOEFWONM-UHFFFAOYSA-N
• XLogP: 19.45
• TPSA: 83.64 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2238.35
LogP ≤ 5	19.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorobenzene-6-id-1-yl)-3,3-dimethylindole;1-(4-fluorobenzene-6-id-1-yl)indazole;5-fluoro-1-(3-fluorobenzene-6-id-1-yl)indazole;pentakis(iridium);1-phenylindazole;3-[3-(trifluoromethyl)benzene-6-id-1-yl]-1-[4-(trifluoromethyl)phenyl]indazole?

The IUPAC name of 2-(3-fluorobenzene-6-id-1-yl)-3,3-dimethylindole;1-(4-fluorobenzene-6-id-1-yl)indazole;5-fluoro-1-(3-fluorobenzene-6-id-1-yl)indazole;pentakis(iridium);1-phenylindazole;3-[3-(trifluoromethyl)benzene-6-id-1-yl]-1-[4-(trifluoromethyl)phenyl]indazole (CID 157286542) is 2-(3-fluorobenzene-6-id-1-yl)-3,3-dimethylindole;1-(4-fluorobenzene-6-id-1-yl)indazole;5-fluoro-1-(3-fluorobenzene-6-id-1-yl)indazole;pentakis(iridium);1-phenylindazole;3-[3-(trifluoromethyl)benzene-6-id-1-yl]-1-[4-(trifluoromethyl)phenyl]indazole.

What is the SMILES notation for 2-(3-fluorobenzene-6-id-1-yl)-3,3-dimethylindole;1-(4-fluorobenzene-6-id-1-yl)indazole;5-fluoro-1-(3-fluorobenzene-6-id-1-yl)indazole;pentakis(iridium);1-phenylindazole;3-[3-(trifluoromethyl)benzene-6-id-1-yl]-1-[4-(trifluoromethyl)phenyl]indazole?

The canonical SMILES for 2-(3-fluorobenzene-6-id-1-yl)-3,3-dimethylindole;1-(4-fluorobenzene-6-id-1-yl)indazole;5-fluoro-1-(3-fluorobenzene-6-id-1-yl)indazole;pentakis(iridium);1-phenylindazole;3-[3-(trifluoromethyl)benzene-6-id-1-yl]-1-[4-(trifluoromethyl)phenyl]indazole is CC1(C)C(c2[c-]ccc(F)c2)=Nc2ccccc21.FC(F)(F)c1ccc(-n2nc(-c3[c-]ccc(C(F)(F)F)c3)c3ccccc32)cc1.Fc1c[c-]c(-n2ncc3ccccc32)cc1.Fc1cc[c-]c(-n2ncc3cc(F)ccc32)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-n1ncc2ccccc21.

What is the InChIKey of 2-(3-fluorobenzene-6-id-1-yl)-3,3-dimethylindole;1-(4-fluorobenzene-6-id-1-yl)indazole;5-fluoro-1-(3-fluorobenzene-6-id-1-yl)indazole;pentakis(iridium);1-phenylindazole;3-[3-(trifluoromethyl)benzene-6-id-1-yl]-1-[4-(trifluoromethyl)phenyl]indazole?

The InChIKey is BWIZBVOOEFWONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11F6N2.C16H13FN.C13H7F2N2.C13H8FN2.C13H9N2.5Ir/c22-20(23,24)14-8-10-16(11-9-14)29-18-7-2-1-6-17(18)19(28-29)13-4-3-5-15(12-13)21(25,26)27;1-16(2)13-8-3-4-9-14(13)18-15(16)11-6-5-7-12(17)10-11;14-10-2-1-3-12(7-10)17-13-5-4-11(15)6-9(13)8-16-17;14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15-16;1-2-7-12(8-3-1)15-13-9-5-4-6-11(13)10-14-15;;;;;/h1-3,5-12H;3-5,7-10H,1-2H3;1-2,4-8H;1-7,9H;1-7,9-10H;;;;;/q5*-1;;;;;.

What are the key properties of 2-(3-fluorobenzene-6-id-1-yl)-3,3-dimethylindole;1-(4-fluorobenzene-6-id-1-yl)indazole;5-fluoro-1-(3-fluorobenzene-6-id-1-yl)indazole;pentakis(iridium);1-phenylindazole;3-[3-(trifluoromethyl)benzene-6-id-1-yl]-1-[4-(trifluoromethyl)phenyl]indazole?

2-(3-fluorobenzene-6-id-1-yl)-3,3-dimethylindole;1-(4-fluorobenzene-6-id-1-yl)indazole;5-fluoro-1-(3-fluorobenzene-6-id-1-yl)indazole;pentakis(iridium);1-phenylindazole;3-[3-(trifluoromethyl)benzene-6-id-1-yl]-1-[4-(trifluoromethyl)phenyl]indazole has a molecular weight of 2238.35 g/mol, XLogP of 19.45, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-fluorobenzene-6-id-1-yl)-3,3-dimethylindole;1-(4-fluorobenzene-6-id-1-yl)indazole;5-fluoro-1-(3-fluorobenzene-6-id-1-yl)indazole;pentakis(iridium);1-phenylindazole;3-[3-(trifluoromethyl)benzene-6-id-1-yl]-1-[4-(trifluoromethyl)phenyl]indazole is sourced from PubChem (CID 157286542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).