bis(2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine);pentakis(iridium);tris(2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine);bis(1-phenylisoquinoline);bis(3-phenylisoquinoline);2-phenylquinoline

C128H70F36Ir5N10-10 — CID 159922382

About bis(2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine);pentakis(iridium);tris(2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine);bis(1-phenylisoquinoline);bis(3-phenylisoquinoline);2-phenylquinoline

bis(2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine);pentakis(iridium);tris(2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine);bis(1-phenylisoquinoline);bis(3-phenylisoquinoline);2-phenylquinoline (PubChem CID 159922382) has the molecular formula C128H70F36Ir5N10-10 and a molecular weight of 3393.05 g/mol. Its IUPAC name is bis(2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine);pentakis(iridium);tris(2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine);bis(1-phenylisoquinoline);bis(3-phenylisoquinoline);2-phenylquinoline.

Molecular Properties

• Compound Name: bis(2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine);pentakis(iridium);tris(2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine);bis(1-phenylisoquinoline);bis(3-phenylisoquinoline);2-phenylquinoline
• PubChem CID: 159922382
• Molecular Formula: C128H70F36Ir5N10-10
• Molecular Weight: 3393.05 g/mol
• Exact Mass: 3395.34
• IUPAC Name: bis(2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine);pentakis(iridium);tris(2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine);bis(1-phenylisoquinoline);bis(3-phenylisoquinoline);2-phenylquinoline
• SMILES: FC1(F)[C-]=C(c2ccccn2)C(F)(F)C(F)(F)C1(F)F.FC1(F)[C-]=C(c2ccccn2)C(F)(F)C(F)(F)C1(F)F.FC1(F)[C-]=C(c2ccccn2)C(F)(F)C(F)(F)C1(F)F.FC1(F)[C-]=C(c2ccccn2)C(F)(F)C1(F)F.FC1(F)[C-]=C(c2ccccn2)C(F)(F)C1(F)F.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc2ccccc2cn1.[c-]1ccccc1-c1cc2ccccc2cn1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
• InChI: InChI=1S/5C15H10N.3C11H4F8N.2C10H4F6N.5Ir/c2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;2*1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;3*12-8(13)5-6(7-3-1-2-4-20-7)9(14,15)11(18,19)10(8,16)17;2*11-8(12)5-6(7-3-1-2-4-17-7)9(13,14)10(8,15)16;;;;;/h2*1-7,9-11H;3*1-6,8-11H;3*1-4H;2*1-4H;;;;;/q10*-1
• InChIKey: GEZRJISYRMBERC-UHFFFAOYSA-N
• XLogP: 36.34
• TPSA: 128.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3393.05
LogP ≤ 5	36.34
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': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine);pentakis(iridium);tris(2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine);bis(1-phenylisoquinoline);bis(3-phenylisoquinoline);2-phenylquinoline?

The IUPAC name of bis(2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine);pentakis(iridium);tris(2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine);bis(1-phenylisoquinoline);bis(3-phenylisoquinoline);2-phenylquinoline (CID 159922382) is bis(2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine);pentakis(iridium);tris(2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine);bis(1-phenylisoquinoline);bis(3-phenylisoquinoline);2-phenylquinoline.

What is the SMILES notation for bis(2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine);pentakis(iridium);tris(2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine);bis(1-phenylisoquinoline);bis(3-phenylisoquinoline);2-phenylquinoline?

The canonical SMILES for bis(2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine);pentakis(iridium);tris(2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine);bis(1-phenylisoquinoline);bis(3-phenylisoquinoline);2-phenylquinoline is FC1(F)[C-]=C(c2ccccn2)C(F)(F)C(F)(F)C1(F)F.FC1(F)[C-]=C(c2ccccn2)C(F)(F)C(F)(F)C1(F)F.FC1(F)[C-]=C(c2ccccn2)C(F)(F)C(F)(F)C1(F)F.FC1(F)[C-]=C(c2ccccn2)C(F)(F)C1(F)F.FC1(F)[C-]=C(c2ccccn2)C(F)(F)C1(F)F.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc2ccccc2cn1.[c-]1ccccc1-c1cc2ccccc2cn1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.

What is the InChIKey of bis(2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine);pentakis(iridium);tris(2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine);bis(1-phenylisoquinoline);bis(3-phenylisoquinoline);2-phenylquinoline?

The InChIKey is GEZRJISYRMBERC-UHFFFAOYSA-N. The full InChI is InChI=1S/5C15H10N.3C11H4F8N.2C10H4F6N.5Ir/c2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;2*1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;3*12-8(13)5-6(7-3-1-2-4-20-7)9(14,15)11(18,19)10(8,16)17;2*11-8(12)5-6(7-3-1-2-4-17-7)9(13,14)10(8,15)16;;;;;/h2*1-7,9-11H;3*1-6,8-11H;3*1-4H;2*1-4H;;;;;/q10*-1;;;;;.

What are the key properties of bis(2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine);pentakis(iridium);tris(2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine);bis(1-phenylisoquinoline);bis(3-phenylisoquinoline);2-phenylquinoline?

bis(2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine);pentakis(iridium);tris(2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine);bis(1-phenylisoquinoline);bis(3-phenylisoquinoline);2-phenylquinoline has a molecular weight of 3393.05 g/mol, XLogP of 36.34, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine);pentakis(iridium);tris(2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine);bis(1-phenylisoquinoline);bis(3-phenylisoquinoline);2-phenylquinoline is sourced from PubChem (CID 159922382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).