3-tert-butyl-2-phenylindazole;3-tert-butyl-2-phenylphenanthro[9,10-c]pyrazole;2-(3-fluorobenzene-6-id-1-yl)-3-(trifluoromethyl)indazole;pentakis(iridium);3-phenylbenzo[e]indazole;3-phenyl-1-phenylindazole

C92H69F4Ir5N10-5 — CID 159505353

About 3-tert-butyl-2-phenylindazole;3-tert-butyl-2-phenylphenanthro[9,10-c]pyrazole;2-(3-fluorobenzene-6-id-1-yl)-3-(trifluoromethyl)indazole;pentakis(iridium);3-phenylbenzo[e]indazole;3-phenyl-1-phenylindazole

3-tert-butyl-2-phenylindazole;3-tert-butyl-2-phenylphenanthro[9,10-c]pyrazole;2-(3-fluorobenzene-6-id-1-yl)-3-(trifluoromethyl)indazole;pentakis(iridium);3-phenylbenzo[e]indazole;3-phenyl-1-phenylindazole (PubChem CID 159505353) has the molecular formula C92H69F4Ir5N10-5 and a molecular weight of 2351.71 g/mol. Its IUPAC name is 3-tert-butyl-2-phenylindazole;3-tert-butyl-2-phenylphenanthro[9,10-c]pyrazole;2-(3-fluorobenzene-6-id-1-yl)-3-(trifluoromethyl)indazole;pentakis(iridium);3-phenylbenzo[e]indazole;3-phenyl-1-phenylindazole.

Molecular Properties

• Compound Name: 3-tert-butyl-2-phenylindazole;3-tert-butyl-2-phenylphenanthro[9,10-c]pyrazole;2-(3-fluorobenzene-6-id-1-yl)-3-(trifluoromethyl)indazole;pentakis(iridium);3-phenylbenzo[e]indazole;3-phenyl-1-phenylindazole
• PubChem CID: 159505353
• Molecular Formula: C92H69F4Ir5N10-5
• Molecular Weight: 2351.71 g/mol
• Exact Mass: 2354.38
• IUPAC Name: 3-tert-butyl-2-phenylindazole;3-tert-butyl-2-phenylphenanthro[9,10-c]pyrazole;2-(3-fluorobenzene-6-id-1-yl)-3-(trifluoromethyl)indazole;pentakis(iridium);3-phenylbenzo[e]indazole;3-phenyl-1-phenylindazole
• SMILES: CC(C)(C)c1c2c3ccccc3c3ccccc3c2nn1-c1[c-]cccc1.CC(C)(C)c1c2ccccc2nn1-c1[c-]cccc1.Fc1cc[c-]c(-n2nc3ccccc3c2C(F)(F)F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-n1nc(-c2ccccc2)c2ccccc21.[c-]1ccccc1-n1ncc2c3ccccc3ccc21
• InChI: InChI=1S/C25H21N2.C19H13N2.C17H11N2.C17H17N2.C14H7F4N2.5Ir/c1-25(2,3)24-22-20-15-9-7-13-18(20)19-14-8-10-16-21(19)23(22)26-27(24)17-11-5-4-6-12-17;1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21(20-19)16-11-5-2-6-12-16;1-2-7-14(8-3-1)19-17-11-10-13-6-4-5-9-15(13)16(17)12-18-19;1-17(2,3)16-14-11-7-8-12-15(14)18-19(16)13-9-5-4-6-10-13;15-9-4-3-5-10(8-9)20-13(14(16,17)18)11-6-1-2-7-12(11)19-20;;;;;/h4-11,13-16H,1-3H3;1-11,13-14H;1-7,9-12H;4-9,11-12H,1-3H3;1-4,6-8H;;;;;/q5*-1
• InChIKey: FCBCKSJSFBRYBZ-UHFFFAOYSA-N
• XLogP: 23.00
• TPSA: 89.10 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2351.71
LogP ≤ 5	23.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-phenylindazole;3-tert-butyl-2-phenylphenanthro[9,10-c]pyrazole;2-(3-fluorobenzene-6-id-1-yl)-3-(trifluoromethyl)indazole;pentakis(iridium);3-phenylbenzo[e]indazole;3-phenyl-1-phenylindazole?

The IUPAC name of 3-tert-butyl-2-phenylindazole;3-tert-butyl-2-phenylphenanthro[9,10-c]pyrazole;2-(3-fluorobenzene-6-id-1-yl)-3-(trifluoromethyl)indazole;pentakis(iridium);3-phenylbenzo[e]indazole;3-phenyl-1-phenylindazole (CID 159505353) is 3-tert-butyl-2-phenylindazole;3-tert-butyl-2-phenylphenanthro[9,10-c]pyrazole;2-(3-fluorobenzene-6-id-1-yl)-3-(trifluoromethyl)indazole;pentakis(iridium);3-phenylbenzo[e]indazole;3-phenyl-1-phenylindazole.

What is the SMILES notation for 3-tert-butyl-2-phenylindazole;3-tert-butyl-2-phenylphenanthro[9,10-c]pyrazole;2-(3-fluorobenzene-6-id-1-yl)-3-(trifluoromethyl)indazole;pentakis(iridium);3-phenylbenzo[e]indazole;3-phenyl-1-phenylindazole?

The canonical SMILES for 3-tert-butyl-2-phenylindazole;3-tert-butyl-2-phenylphenanthro[9,10-c]pyrazole;2-(3-fluorobenzene-6-id-1-yl)-3-(trifluoromethyl)indazole;pentakis(iridium);3-phenylbenzo[e]indazole;3-phenyl-1-phenylindazole is CC(C)(C)c1c2c3ccccc3c3ccccc3c2nn1-c1[c-]cccc1.CC(C)(C)c1c2ccccc2nn1-c1[c-]cccc1.Fc1cc[c-]c(-n2nc3ccccc3c2C(F)(F)F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-n1nc(-c2ccccc2)c2ccccc21.[c-]1ccccc1-n1ncc2c3ccccc3ccc21.

What is the InChIKey of 3-tert-butyl-2-phenylindazole;3-tert-butyl-2-phenylphenanthro[9,10-c]pyrazole;2-(3-fluorobenzene-6-id-1-yl)-3-(trifluoromethyl)indazole;pentakis(iridium);3-phenylbenzo[e]indazole;3-phenyl-1-phenylindazole?

The InChIKey is FCBCKSJSFBRYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N2.C19H13N2.C17H11N2.C17H17N2.C14H7F4N2.5Ir/c1-25(2,3)24-22-20-15-9-7-13-18(20)19-14-8-10-16-21(19)23(22)26-27(24)17-11-5-4-6-12-17;1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21(20-19)16-11-5-2-6-12-16;1-2-7-14(8-3-1)19-17-11-10-13-6-4-5-9-15(13)16(17)12-18-19;1-17(2,3)16-14-11-7-8-12-15(14)18-19(16)13-9-5-4-6-10-13;15-9-4-3-5-10(8-9)20-13(14(16,17)18)11-6-1-2-7-12(11)19-20;;;;;/h4-11,13-16H,1-3H3;1-11,13-14H;1-7,9-12H;4-9,11-12H,1-3H3;1-4,6-8H;;;;;/q5*-1;;;;;.

What are the key properties of 3-tert-butyl-2-phenylindazole;3-tert-butyl-2-phenylphenanthro[9,10-c]pyrazole;2-(3-fluorobenzene-6-id-1-yl)-3-(trifluoromethyl)indazole;pentakis(iridium);3-phenylbenzo[e]indazole;3-phenyl-1-phenylindazole?

3-tert-butyl-2-phenylindazole;3-tert-butyl-2-phenylphenanthro[9,10-c]pyrazole;2-(3-fluorobenzene-6-id-1-yl)-3-(trifluoromethyl)indazole;pentakis(iridium);3-phenylbenzo[e]indazole;3-phenyl-1-phenylindazole has a molecular weight of 2351.71 g/mol, XLogP of 23.00, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-2-phenylindazole;3-tert-butyl-2-phenylphenanthro[9,10-c]pyrazole;2-(3-fluorobenzene-6-id-1-yl)-3-(trifluoromethyl)indazole;pentakis(iridium);3-phenylbenzo[e]indazole;3-phenyl-1-phenylindazole is sourced from PubChem (CID 159505353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).