tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));tetrakis(iridium);tetrakis(1-phenylisoquinoline);bis(2-phenylpyrazine);bis(3-pyridin-2-yl-4H-pyridin-4-ide)

C120H72Cu4F24Ir4N20-8 — CID 160899865

About tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));tetrakis(iridium);tetrakis(1-phenylisoquinoline);bis(2-phenylpyrazine);bis(3-pyridin-2-yl-4H-pyridin-4-ide)

tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));tetrakis(iridium);tetrakis(1-phenylisoquinoline);bis(2-phenylpyrazine);bis(3-pyridin-2-yl-4H-pyridin-4-ide) (PubChem CID 160899865) has the molecular formula C120H72Cu4F24Ir4N20-8 and a molecular weight of 3273.04 g/mol. Its IUPAC name is tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));tetrakis(iridium);tetrakis(1-phenylisoquinoline);bis(2-phenylpyrazine);bis(3-pyridin-2-yl-4H-pyridin-4-ide).

Molecular Properties

• Compound Name: tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));tetrakis(iridium);tetrakis(1-phenylisoquinoline);bis(2-phenylpyrazine);bis(3-pyridin-2-yl-4H-pyridin-4-ide)
• PubChem CID: 160899865
• Molecular Formula: C120H72Cu4F24Ir4N20-8
• Molecular Weight: 3273.04 g/mol
• Exact Mass: 3272.16
• IUPAC Name: tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));tetrakis(iridium);tetrakis(1-phenylisoquinoline);bis(2-phenylpyrazine);bis(3-pyridin-2-yl-4H-pyridin-4-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.[Cu+].[Cu+].[Cu+].[Cu+].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cnccn1.[c-]1ccccc1-c1cnccn1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccncc1-c1ccccn1.[c-]1ccncc1-c1ccccn1
• InChI: InChI=1S/4C15H10N.4C10H7N2.4C5HF6N2.4Cu.4Ir/c4*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;2*1-2-7-12-10(5-1)9-4-3-6-11-8-9;2*1-2-4-9(5-3-1)10-8-11-6-7-12-10;4*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;;;;;;/h4*1-7,9-11H;2*1-3,5-8H;2*1-4,6-8H;4*1H;;;;;;;;/q12*-1;4*+1
• InChIKey: KLKFSPPHADEDBQ-UHFFFAOYSA-N
• XLogP: 30.87
• TPSA: 262.64 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3273.04
LogP ≤ 5	30.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));tetrakis(iridium);tetrakis(1-phenylisoquinoline);bis(2-phenylpyrazine);bis(3-pyridin-2-yl-4H-pyridin-4-ide)?

The IUPAC name of tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));tetrakis(iridium);tetrakis(1-phenylisoquinoline);bis(2-phenylpyrazine);bis(3-pyridin-2-yl-4H-pyridin-4-ide) (CID 160899865) is tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));tetrakis(iridium);tetrakis(1-phenylisoquinoline);bis(2-phenylpyrazine);bis(3-pyridin-2-yl-4H-pyridin-4-ide).

What is the SMILES notation for tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));tetrakis(iridium);tetrakis(1-phenylisoquinoline);bis(2-phenylpyrazine);bis(3-pyridin-2-yl-4H-pyridin-4-ide)?

The canonical SMILES for tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));tetrakis(iridium);tetrakis(1-phenylisoquinoline);bis(2-phenylpyrazine);bis(3-pyridin-2-yl-4H-pyridin-4-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.[Cu+].[Cu+].[Cu+].[Cu+].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cnccn1.[c-]1ccccc1-c1cnccn1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccncc1-c1ccccn1.[c-]1ccncc1-c1ccccn1.

What is the InChIKey of tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));tetrakis(iridium);tetrakis(1-phenylisoquinoline);bis(2-phenylpyrazine);bis(3-pyridin-2-yl-4H-pyridin-4-ide)?

The InChIKey is KLKFSPPHADEDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C15H10N.4C10H7N2.4C5HF6N2.4Cu.4Ir/c4*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;2*1-2-7-12-10(5-1)9-4-3-6-11-8-9;2*1-2-4-9(5-3-1)10-8-11-6-7-12-10;4*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;;;;;;/h4*1-7,9-11H;2*1-3,5-8H;2*1-4,6-8H;4*1H;;;;;;;;/q12*-1;4*+1;;;;.

What are the key properties of tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));tetrakis(iridium);tetrakis(1-phenylisoquinoline);bis(2-phenylpyrazine);bis(3-pyridin-2-yl-4H-pyridin-4-ide)?

tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));tetrakis(iridium);tetrakis(1-phenylisoquinoline);bis(2-phenylpyrazine);bis(3-pyridin-2-yl-4H-pyridin-4-ide) has a molecular weight of 3273.04 g/mol, XLogP of 30.87, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));tetrakis(iridium);tetrakis(1-phenylisoquinoline);bis(2-phenylpyrazine);bis(3-pyridin-2-yl-4H-pyridin-4-ide) is sourced from PubChem (CID 160899865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).