pentakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));tetrakis(iridium);iridium(3+);hexakis(2-phenylpyridine);pentakis(2-pyridin-2-ylbenzimidazol-1-ide)

C151H93Cu5F30Ir5N31-8 — CID 157328163

About pentakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));tetrakis(iridium);iridium(3+);hexakis(2-phenylpyridine);pentakis(2-pyridin-2-ylbenzimidazol-1-ide)

pentakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));tetrakis(iridium);iridium(3+);hexakis(2-phenylpyridine);pentakis(2-pyridin-2-ylbenzimidazol-1-ide) (PubChem CID 157328163) has the molecular formula C151H93Cu5F30Ir5N31-8 and a molecular weight of 4190.38 g/mol. Its IUPAC name is pentakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));tetrakis(iridium);iridium(3+);hexakis(2-phenylpyridine);pentakis(2-pyridin-2-ylbenzimidazol-1-ide).

Molecular Properties

• Compound Name: pentakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));tetrakis(iridium);iridium(3+);hexakis(2-phenylpyridine);pentakis(2-pyridin-2-ylbenzimidazol-1-ide)
• PubChem CID: 157328163
• Molecular Formula: C151H93Cu5F30Ir5N31-8
• Molecular Weight: 4190.38 g/mol
• Exact Mass: 4189.24
• IUPAC Name: pentakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));tetrakis(iridium);iridium(3+);hexakis(2-phenylpyridine);pentakis(2-pyridin-2-ylbenzimidazol-1-ide)
• SMILES: FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Ir+3].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1
• InChI: InChI=1S/5C12H8N3.6C11H8N.5C5HF6N2.5Cu.5Ir/c5*1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;6*1-2-6-10(7-3-1)11-8-4-5-9-12-11;5*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;;;;;;;;/h5*1-8H;6*1-6,8-9H;5*1H;;;;;;;;;;/q16*-1;5*+1;;;;;+3
• InChIKey: HJEXMVCXKYGSBV-UHFFFAOYSA-N
• XLogP: 36.92
• TPSA: 411.69 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 11
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4190.38
LogP ≤ 5	36.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of pentakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));tetrakis(iridium);iridium(3+);hexakis(2-phenylpyridine);pentakis(2-pyridin-2-ylbenzimidazol-1-ide)?

The IUPAC name of pentakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));tetrakis(iridium);iridium(3+);hexakis(2-phenylpyridine);pentakis(2-pyridin-2-ylbenzimidazol-1-ide) (CID 157328163) is pentakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));tetrakis(iridium);iridium(3+);hexakis(2-phenylpyridine);pentakis(2-pyridin-2-ylbenzimidazol-1-ide).

What is the SMILES notation for pentakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));tetrakis(iridium);iridium(3+);hexakis(2-phenylpyridine);pentakis(2-pyridin-2-ylbenzimidazol-1-ide)?

The canonical SMILES for pentakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));tetrakis(iridium);iridium(3+);hexakis(2-phenylpyridine);pentakis(2-pyridin-2-ylbenzimidazol-1-ide) is FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Ir+3].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1.

What is the InChIKey of pentakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));tetrakis(iridium);iridium(3+);hexakis(2-phenylpyridine);pentakis(2-pyridin-2-ylbenzimidazol-1-ide)?

The InChIKey is HJEXMVCXKYGSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/5C12H8N3.6C11H8N.5C5HF6N2.5Cu.5Ir/c5*1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;6*1-2-6-10(7-3-1)11-8-4-5-9-12-11;5*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;;;;;;;;/h5*1-8H;6*1-6,8-9H;5*1H;;;;;;;;;;/q16*-1;5*+1;;;;;+3.

What are the key properties of pentakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));tetrakis(iridium);iridium(3+);hexakis(2-phenylpyridine);pentakis(2-pyridin-2-ylbenzimidazol-1-ide)?

pentakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));tetrakis(iridium);iridium(3+);hexakis(2-phenylpyridine);pentakis(2-pyridin-2-ylbenzimidazol-1-ide) has a molecular weight of 4190.38 g/mol, XLogP of 36.92, 11 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for pentakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));tetrakis(iridium);iridium(3+);hexakis(2-phenylpyridine);pentakis(2-pyridin-2-ylbenzimidazol-1-ide) is sourced from PubChem (CID 157328163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).