1-(4-fluorobenzene-6-id-1-yl)indazole;5-fluoro-1-(3-fluorobenzene-6-id-1-yl)indazole;pentakis(iridium);3-methyl-2-(3H-naphthalen-3-id-2-yl)-3-phenylindole;1-phenylindazole;1-[3-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]-3H-indazol-1-ium

C85H54F9Ir5N9-4 — CID 157435696

About 1-(4-fluorobenzene-6-id-1-yl)indazole;5-fluoro-1-(3-fluorobenzene-6-id-1-yl)indazole;pentakis(iridium);3-methyl-2-(3H-naphthalen-3-id-2-yl)-3-phenylindole;1-phenylindazole;1-[3-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]-3H-indazol-1-ium

1-(4-fluorobenzene-6-id-1-yl)indazole;5-fluoro-1-(3-fluorobenzene-6-id-1-yl)indazole;pentakis(iridium);3-methyl-2-(3H-naphthalen-3-id-2-yl)-3-phenylindole;1-phenylindazole;1-[3-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]-3H-indazol-1-ium (PubChem CID 157435696) has the molecular formula C85H54F9Ir5N9-4 and a molecular weight of 2333.50 g/mol. Its IUPAC name is 1-(4-fluorobenzene-6-id-1-yl)indazole;5-fluoro-1-(3-fluorobenzene-6-id-1-yl)indazole;pentakis(iridium);3-methyl-2-(3H-naphthalen-3-id-2-yl)-3-phenylindole;1-phenylindazole;1-[3-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]-3H-indazol-1-ium.

Molecular Properties

• Compound Name: 1-(4-fluorobenzene-6-id-1-yl)indazole;5-fluoro-1-(3-fluorobenzene-6-id-1-yl)indazole;pentakis(iridium);3-methyl-2-(3H-naphthalen-3-id-2-yl)-3-phenylindole;1-phenylindazole;1-[3-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]-3H-indazol-1-ium
• PubChem CID: 157435696
• Molecular Formula: C85H54F9Ir5N9-4
• Molecular Weight: 2333.50 g/mol
• Exact Mass: 2336.25
• IUPAC Name: 1-(4-fluorobenzene-6-id-1-yl)indazole;5-fluoro-1-(3-fluorobenzene-6-id-1-yl)indazole;pentakis(iridium);3-methyl-2-(3H-naphthalen-3-id-2-yl)-3-phenylindole;1-phenylindazole;1-[3-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]-3H-indazol-1-ium
• SMILES: CC1(c2ccccc2)C(c2[c-]cc3ccccc3c2)=Nc2ccccc21.FC(F)(F)c1ccc(C2N=[N+](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/C25H18N.C21H12F6N2.C13H7F2N2.C13H8FN2.C13H9N2.5Ir/c1-25(21-11-3-2-4-12-21)22-13-7-8-14-23(22)26-24(25)20-16-15-18-9-5-6-10-19(18)17-20;22-20(23,24)14-10-8-13(9-11-14)19-17-6-1-2-7-18(17)29(28-19)16-5-3-4-15(12-16)21(25,26)27;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;;;;;/h2-15,17H,1H3;1-4,6-12,19H;1-2,4-8H;1-7,9H;1-7,9-10H;;;;;/q-1;;3*-1
• InChIKey: DIFNJNDRMKVXSG-UHFFFAOYSA-N
• XLogP: 21.88
• TPSA: 81.19 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2333.50
LogP ≤ 5	21.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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 1-(4-fluorobenzene-6-id-1-yl)indazole;5-fluoro-1-(3-fluorobenzene-6-id-1-yl)indazole;pentakis(iridium);3-methyl-2-(3H-naphthalen-3-id-2-yl)-3-phenylindole;1-phenylindazole;1-[3-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]-3H-indazol-1-ium?

The IUPAC name of 1-(4-fluorobenzene-6-id-1-yl)indazole;5-fluoro-1-(3-fluorobenzene-6-id-1-yl)indazole;pentakis(iridium);3-methyl-2-(3H-naphthalen-3-id-2-yl)-3-phenylindole;1-phenylindazole;1-[3-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]-3H-indazol-1-ium (CID 157435696) is 1-(4-fluorobenzene-6-id-1-yl)indazole;5-fluoro-1-(3-fluorobenzene-6-id-1-yl)indazole;pentakis(iridium);3-methyl-2-(3H-naphthalen-3-id-2-yl)-3-phenylindole;1-phenylindazole;1-[3-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]-3H-indazol-1-ium.

What is the SMILES notation for 1-(4-fluorobenzene-6-id-1-yl)indazole;5-fluoro-1-(3-fluorobenzene-6-id-1-yl)indazole;pentakis(iridium);3-methyl-2-(3H-naphthalen-3-id-2-yl)-3-phenylindole;1-phenylindazole;1-[3-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]-3H-indazol-1-ium?

The canonical SMILES for 1-(4-fluorobenzene-6-id-1-yl)indazole;5-fluoro-1-(3-fluorobenzene-6-id-1-yl)indazole;pentakis(iridium);3-methyl-2-(3H-naphthalen-3-id-2-yl)-3-phenylindole;1-phenylindazole;1-[3-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]-3H-indazol-1-ium is CC1(c2ccccc2)C(c2[c-]cc3ccccc3c2)=Nc2ccccc21.FC(F)(F)c1ccc(C2N=[N+](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 1-(4-fluorobenzene-6-id-1-yl)indazole;5-fluoro-1-(3-fluorobenzene-6-id-1-yl)indazole;pentakis(iridium);3-methyl-2-(3H-naphthalen-3-id-2-yl)-3-phenylindole;1-phenylindazole;1-[3-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]-3H-indazol-1-ium?

The InChIKey is DIFNJNDRMKVXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N.C21H12F6N2.C13H7F2N2.C13H8FN2.C13H9N2.5Ir/c1-25(21-11-3-2-4-12-21)22-13-7-8-14-23(22)26-24(25)20-16-15-18-9-5-6-10-19(18)17-20;22-20(23,24)14-10-8-13(9-11-14)19-17-6-1-2-7-18(17)29(28-19)16-5-3-4-15(12-16)21(25,26)27;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;;;;;/h2-15,17H,1H3;1-4,6-12,19H;1-2,4-8H;1-7,9H;1-7,9-10H;;;;;/q-1;;3*-1;;;;;.

What are the key properties of 1-(4-fluorobenzene-6-id-1-yl)indazole;5-fluoro-1-(3-fluorobenzene-6-id-1-yl)indazole;pentakis(iridium);3-methyl-2-(3H-naphthalen-3-id-2-yl)-3-phenylindole;1-phenylindazole;1-[3-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]-3H-indazol-1-ium?

1-(4-fluorobenzene-6-id-1-yl)indazole;5-fluoro-1-(3-fluorobenzene-6-id-1-yl)indazole;pentakis(iridium);3-methyl-2-(3H-naphthalen-3-id-2-yl)-3-phenylindole;1-phenylindazole;1-[3-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]-3H-indazol-1-ium has a molecular weight of 2333.50 g/mol, XLogP of 21.88, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorobenzene-6-id-1-yl)indazole;5-fluoro-1-(3-fluorobenzene-6-id-1-yl)indazole;pentakis(iridium);3-methyl-2-(3H-naphthalen-3-id-2-yl)-3-phenylindole;1-phenylindazole;1-[3-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]-3H-indazol-1-ium is sourced from PubChem (CID 157435696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).