bis(2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine);(4-hydroxy-3-methylpent-3-en-2-ylidene)oxidanium;bis(4-hydroxypent-3-en-2-ylideneoxidanium);tris(iridium);tris(2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine);platinum

C69H49F36Ir3N5O6Pt2-2 — CID 160512039

About bis(2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine);(4-hydroxy-3-methylpent-3-en-2-ylidene)oxidanium;bis(4-hydroxypent-3-en-2-ylideneoxidanium);tris(iridium);tris(2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine);platinum

bis(2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine);(4-hydroxy-3-methylpent-3-en-2-ylidene)oxidanium;bis(4-hydroxypent-3-en-2-ylideneoxidanium);tris(iridium);tris(2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine);platinum (PubChem CID 160512039) has the molecular formula C69H49F36Ir3N5O6Pt2-2 and a molecular weight of 2694.91 g/mol. Its IUPAC name is bis(2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine);(4-hydroxy-3-methylpent-3-en-2-ylidene)oxidanium;bis(4-hydroxypent-3-en-2-ylideneoxidanium);tris(iridium);tris(2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine);platinum.

Molecular Properties

• Compound Name: bis(2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine);(4-hydroxy-3-methylpent-3-en-2-ylidene)oxidanium;bis(4-hydroxypent-3-en-2-ylideneoxidanium);tris(iridium);tris(2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine);platinum
• PubChem CID: 160512039
• Molecular Formula: C69H49F36Ir3N5O6Pt2-2
• Molecular Weight: 2694.91 g/mol
• Exact Mass: 2696.13
• IUPAC Name: bis(2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine);(4-hydroxy-3-methylpent-3-en-2-ylidene)oxidanium;bis(4-hydroxypent-3-en-2-ylideneoxidanium);tris(iridium);tris(2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine);platinum
• 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.[H]/[O+]=C(\C)C(C)=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[Ir].[Ir].[Ir].[Pt].[Pt]
• InChI: InChI=1S/3C11H4F8N.2C10H4F6N.C6H10O2.2C5H8O2.3Ir.2Pt/c3*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;1-4(5(2)7)6(3)8;2*1-4(6)3-5(2)7;;;;;/h3*1-4H;2*1-4H;7H,1-3H3;2*3,6H,1-2H3;;;;;/q5*-1;;;;;;;;/p+3
• InChIKey: HDZHYXKOQPXVSV-UHFFFAOYSA-Q
• XLogP: 21.26
• TPSA: 189.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2694.91
LogP ≤ 5	21.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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);(4-hydroxy-3-methylpent-3-en-2-ylidene)oxidanium;bis(4-hydroxypent-3-en-2-ylideneoxidanium);tris(iridium);tris(2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine);platinum?

The IUPAC name of bis(2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine);(4-hydroxy-3-methylpent-3-en-2-ylidene)oxidanium;bis(4-hydroxypent-3-en-2-ylideneoxidanium);tris(iridium);tris(2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine);platinum (CID 160512039) is bis(2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine);(4-hydroxy-3-methylpent-3-en-2-ylidene)oxidanium;bis(4-hydroxypent-3-en-2-ylideneoxidanium);tris(iridium);tris(2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine);platinum.

What is the SMILES notation for bis(2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine);(4-hydroxy-3-methylpent-3-en-2-ylidene)oxidanium;bis(4-hydroxypent-3-en-2-ylideneoxidanium);tris(iridium);tris(2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine);platinum?

The canonical SMILES for bis(2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine);(4-hydroxy-3-methylpent-3-en-2-ylidene)oxidanium;bis(4-hydroxypent-3-en-2-ylideneoxidanium);tris(iridium);tris(2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine);platinum 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.[H]/[O+]=C(\C)C(C)=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[H]/[O+]=C(\C)C=C(C)O.[Ir].[Ir].[Ir].[Pt].[Pt].

What is the InChIKey of bis(2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine);(4-hydroxy-3-methylpent-3-en-2-ylidene)oxidanium;bis(4-hydroxypent-3-en-2-ylideneoxidanium);tris(iridium);tris(2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine);platinum?

The InChIKey is HDZHYXKOQPXVSV-UHFFFAOYSA-Q. The full InChI is InChI=1S/3C11H4F8N.2C10H4F6N.C6H10O2.2C5H8O2.3Ir.2Pt/c3*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;1-4(5(2)7)6(3)8;2*1-4(6)3-5(2)7;;;;;/h3*1-4H;2*1-4H;7H,1-3H3;2*3,6H,1-2H3;;;;;/q5*-1;;;;;;;;/p+3.

What are the key properties of bis(2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine);(4-hydroxy-3-methylpent-3-en-2-ylidene)oxidanium;bis(4-hydroxypent-3-en-2-ylideneoxidanium);tris(iridium);tris(2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine);platinum?

bis(2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine);(4-hydroxy-3-methylpent-3-en-2-ylidene)oxidanium;bis(4-hydroxypent-3-en-2-ylideneoxidanium);tris(iridium);tris(2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine);platinum has a molecular weight of 2694.91 g/mol, XLogP of 21.26, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine);(4-hydroxy-3-methylpent-3-en-2-ylidene)oxidanium;bis(4-hydroxypent-3-en-2-ylideneoxidanium);tris(iridium);tris(2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine);platinum is sourced from PubChem (CID 160512039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).