potassium;tetrakis(2-(3H-dibenzofuran-3-id-4-yl)quinoline);iodoform;iodomethane;bis(iridium(3+));bis(2-[4-methyl-5-(trifluoromethyl)-1-aza-4-azonia-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);vanadium;dihexafluorophosphate;iodide

C104H65F18I5Ir2KN12O4P2V- — CID 159318603

About potassium;tetrakis(2-(3H-dibenzofuran-3-id-4-yl)quinoline);iodoform;iodomethane;bis(iridium(3+));bis(2-[4-methyl-5-(trifluoromethyl)-1-aza-4-azonia-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);vanadium;dihexafluorophosphate;iodide

potassium;tetrakis(2-(3H-dibenzofuran-3-id-4-yl)quinoline);iodoform;iodomethane;bis(iridium(3+));bis(2-[4-methyl-5-(trifluoromethyl)-1-aza-4-azonia-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);vanadium;dihexafluorophosphate;iodide (PubChem CID 159318603) has the molecular formula C104H65F18I5Ir2KN12O4P2V- and a molecular weight of 3059.65 g/mol. Its IUPAC name is potassium;tetrakis(2-(3H-dibenzofuran-3-id-4-yl)quinoline);iodoform;iodomethane;bis(iridium(3+));bis(2-[4-methyl-5-(trifluoromethyl)-1-aza-4-azonia-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);vanadium;dihexafluorophosphate;iodide.

Molecular Properties

• Compound Name: potassium;tetrakis(2-(3H-dibenzofuran-3-id-4-yl)quinoline);iodoform;iodomethane;bis(iridium(3+));bis(2-[4-methyl-5-(trifluoromethyl)-1-aza-4-azonia-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);vanadium;dihexafluorophosphate;iodide
• PubChem CID: 159318603
• Molecular Formula: C104H65F18I5Ir2KN12O4P2V-
• Molecular Weight: 3059.65 g/mol
• Exact Mass: 3059.80
• IUPAC Name: potassium;tetrakis(2-(3H-dibenzofuran-3-id-4-yl)quinoline);iodoform;iodomethane;bis(iridium(3+));bis(2-[4-methyl-5-(trifluoromethyl)-1-aza-4-azonia-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);vanadium;dihexafluorophosphate;iodide
• SMILES: C[n+]1c(C(F)(F)F)n[n-]c1-c1ccccn1.C[n+]1c(C(F)(F)F)n[n-]c1-c1ccccn1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.IC(I)I.[CH2-]I.[I-].[Ir+3].[Ir+3].[K+].[V].[c-]1ccc2c(oc3ccccc32)c1-c1ccc2ccccc2n1.[c-]1ccc2c(oc3ccccc32)c1-c1ccc2ccccc2n1.[c-]1ccc2c(oc3ccccc32)c1-c1ccc2ccccc2n1.[c-]1ccc2c(oc3ccccc32)c1-c1ccc2ccccc2n1
• InChI: InChI=1S/4C21H12NO.2C9H7F3N4.CHI3.CH2I.2F6P.HI.2Ir.K.V/c4*1-3-10-18-14(6-1)12-13-19(22-18)17-9-5-8-16-15-7-2-4-11-20(15)23-21(16)17;2*1-16-7(6-4-2-3-5-13-6)14-15-8(16)9(10,11)12;2-1(3)4;1-2;2*1-7(2,3,4,5)6;;;;;/h4*1-8,10-13H;2*2-5H,1H3;1H;1H2;;;1H;;;;/q4*-1;;;;3*-1;;2*+3;+1;/p-1
• InChIKey: YQGASIKPBJPXGQ-UHFFFAOYSA-M
• XLogP: 28.85
• TPSA: 191.64 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3059.65
LogP ≤ 5	28.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;tetrakis(2-(3H-dibenzofuran-3-id-4-yl)quinoline);iodoform;iodomethane;bis(iridium(3+));bis(2-[4-methyl-5-(trifluoromethyl)-1-aza-4-azonia-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);vanadium;dihexafluorophosphate;iodide?

The IUPAC name of potassium;tetrakis(2-(3H-dibenzofuran-3-id-4-yl)quinoline);iodoform;iodomethane;bis(iridium(3+));bis(2-[4-methyl-5-(trifluoromethyl)-1-aza-4-azonia-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);vanadium;dihexafluorophosphate;iodide (CID 159318603) is potassium;tetrakis(2-(3H-dibenzofuran-3-id-4-yl)quinoline);iodoform;iodomethane;bis(iridium(3+));bis(2-[4-methyl-5-(trifluoromethyl)-1-aza-4-azonia-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);vanadium;dihexafluorophosphate;iodide.

What is the SMILES notation for potassium;tetrakis(2-(3H-dibenzofuran-3-id-4-yl)quinoline);iodoform;iodomethane;bis(iridium(3+));bis(2-[4-methyl-5-(trifluoromethyl)-1-aza-4-azonia-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);vanadium;dihexafluorophosphate;iodide?

The canonical SMILES for potassium;tetrakis(2-(3H-dibenzofuran-3-id-4-yl)quinoline);iodoform;iodomethane;bis(iridium(3+));bis(2-[4-methyl-5-(trifluoromethyl)-1-aza-4-azonia-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);vanadium;dihexafluorophosphate;iodide is C[n+]1c(C(F)(F)F)n[n-]c1-c1ccccn1.C[n+]1c(C(F)(F)F)n[n-]c1-c1ccccn1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.IC(I)I.[CH2-]I.[I-].[Ir+3].[Ir+3].[K+].[V].[c-]1ccc2c(oc3ccccc32)c1-c1ccc2ccccc2n1.[c-]1ccc2c(oc3ccccc32)c1-c1ccc2ccccc2n1.[c-]1ccc2c(oc3ccccc32)c1-c1ccc2ccccc2n1.[c-]1ccc2c(oc3ccccc32)c1-c1ccc2ccccc2n1.

What is the InChIKey of potassium;tetrakis(2-(3H-dibenzofuran-3-id-4-yl)quinoline);iodoform;iodomethane;bis(iridium(3+));bis(2-[4-methyl-5-(trifluoromethyl)-1-aza-4-azonia-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);vanadium;dihexafluorophosphate;iodide?

The InChIKey is YQGASIKPBJPXGQ-UHFFFAOYSA-M. The full InChI is InChI=1S/4C21H12NO.2C9H7F3N4.CHI3.CH2I.2F6P.HI.2Ir.K.V/c4*1-3-10-18-14(6-1)12-13-19(22-18)17-9-5-8-16-15-7-2-4-11-20(15)23-21(16)17;2*1-16-7(6-4-2-3-5-13-6)14-15-8(16)9(10,11)12;2-1(3)4;1-2;2*1-7(2,3,4,5)6;;;;;/h4*1-8,10-13H;2*2-5H,1H3;1H;1H2;;;1H;;;;/q4*-1;;;;3*-1;;2*+3;+1;/p-1.

What are the key properties of potassium;tetrakis(2-(3H-dibenzofuran-3-id-4-yl)quinoline);iodoform;iodomethane;bis(iridium(3+));bis(2-[4-methyl-5-(trifluoromethyl)-1-aza-4-azonia-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);vanadium;dihexafluorophosphate;iodide?

potassium;tetrakis(2-(3H-dibenzofuran-3-id-4-yl)quinoline);iodoform;iodomethane;bis(iridium(3+));bis(2-[4-methyl-5-(trifluoromethyl)-1-aza-4-azonia-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);vanadium;dihexafluorophosphate;iodide has a molecular weight of 3059.65 g/mol, XLogP of 28.85, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;tetrakis(2-(3H-dibenzofuran-3-id-4-yl)quinoline);iodoform;iodomethane;bis(iridium(3+));bis(2-[4-methyl-5-(trifluoromethyl)-1-aza-4-azonia-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);vanadium;dihexafluorophosphate;iodide is sourced from PubChem (CID 159318603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).