cyclopenta-1,3-diene;2-(3-cyclopenta-2,4-dien-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;iron(2+);4-nitro-2,6-dipyridin-2-ylpyridine;ruthenium(2+);hexafluorophosphate

C41H29F6FeN6O2PRu — CID 139258576

IUPACcyclopenta-1,3-diene;2-(3-cyclopenta-2,4-dien-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;iron(2+);4-nitro-2,6-dipyridin-2-ylpyridine;ruthenium(2+);hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.O=[N+]([O-])c1cc(-c2ccccn2)nc(-c2ccccn2)c1.[Fe+2].[Ru+2].[c-]1c(-c2ccccn2)cc(-[c-]2cccc2)cc1-c1ccccn1.c1cc[cH-]c1
InChIInChI=1S/C21H14N2.C15H10N4O2.C5H5.F6P.Fe.Ru/c1-2-8-16(7-1)17-13-18(20-9-3-5-11-22-20)15-19(14-17)21-10-4-6-12-23-21;20-19(21)11-9-14(12-5-1-3-7-16-12)18-15(10-11)13-6-2-4-8-17-13;1-2-4-5-3-1;1-7(2,3,4,5)6;;/h1-14H;1-10H;1-5H;;;/q-2;;2*-1;2*+2
InChIKeyNBYMQGWNWGGRMO-UHFFFAOYSA-N
MW939.60 g/mol
LogP12.89
Rot. Bonds6

About cyclopenta-1,3-diene;2-(3-cyclopenta-2,4-dien-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;iron(2+);4-nitro-2,6-dipyridin-2-ylpyridine;ruthenium(2+);hexafluorophosphate

cyclopenta-1,3-diene;2-(3-cyclopenta-2,4-dien-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;iron(2+);4-nitro-2,6-dipyridin-2-ylpyridine;ruthenium(2+);hexafluorophosphate (PubChem CID 139258576) has the molecular formula C41H29F6FeN6O2PRu and a molecular weight of 939.60 g/mol. Its IUPAC name is cyclopenta-1,3-diene;2-(3-cyclopenta-2,4-dien-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;iron(2+);4-nitro-2,6-dipyridin-2-ylpyridine;ruthenium(2+);hexafluorophosphate.

Molecular Properties

Compound Namecyclopenta-1,3-diene;2-(3-cyclopenta-2,4-dien-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;iron(2+);4-nitro-2,6-dipyridin-2-ylpyridine;ruthenium(2+);hexafluorophosphate
PubChem CID139258576
Molecular FormulaC41H29F6FeN6O2PRu
Molecular Weight939.60 g/mol
Exact Mass940.04
IUPAC Namecyclopenta-1,3-diene;2-(3-cyclopenta-2,4-dien-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;iron(2+);4-nitro-2,6-dipyridin-2-ylpyridine;ruthenium(2+);hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.O=[N+]([O-])c1cc(-c2ccccn2)nc(-c2ccccn2)c1.[Fe+2].[Ru+2].[c-]1c(-c2ccccn2)cc(-[c-]2cccc2)cc1-c1ccccn1.c1cc[cH-]c1
InChIInChI=1S/C21H14N2.C15H10N4O2.C5H5.F6P.Fe.Ru/c1-2-8-16(7-1)17-13-18(20-9-3-5-11-22-20)15-19(14-17)21-10-4-6-12-23-21;20-19(21)11-9-14(12-5-1-3-7-16-12)18-15(10-11)13-6-2-4-8-17-13;1-2-4-5-3-1;1-7(2,3,4,5)6;;/h1-14H;1-10H;1-5H;;;/q-2;;2*-1;2*+2
InChIKeyNBYMQGWNWGGRMO-UHFFFAOYSA-N
XLogP12.89
TPSA107.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500939.60
LogP ≤ 512.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze cyclopenta-1,3-diene;2-(3-cyclopenta-2,4-dien-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;iron(2+);4-nitro-2,6-dipyridin-2-ylpyridine;ruthenium(2+);hexafluorophosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;2-(3-cyclopenta-2,4-dien-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;iron(2+);4-nitro-2,6-dipyridin-2-ylpyridine;ruthenium(2+);hexafluorophosphate?
The IUPAC name of cyclopenta-1,3-diene;2-(3-cyclopenta-2,4-dien-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;iron(2+);4-nitro-2,6-dipyridin-2-ylpyridine;ruthenium(2+);hexafluorophosphate (CID 139258576) is cyclopenta-1,3-diene;2-(3-cyclopenta-2,4-dien-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;iron(2+);4-nitro-2,6-dipyridin-2-ylpyridine;ruthenium(2+);hexafluorophosphate.
What is the SMILES notation for cyclopenta-1,3-diene;2-(3-cyclopenta-2,4-dien-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;iron(2+);4-nitro-2,6-dipyridin-2-ylpyridine;ruthenium(2+);hexafluorophosphate?
The canonical SMILES for cyclopenta-1,3-diene;2-(3-cyclopenta-2,4-dien-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;iron(2+);4-nitro-2,6-dipyridin-2-ylpyridine;ruthenium(2+);hexafluorophosphate is F[P-](F)(F)(F)(F)F.O=[N+]([O-])c1cc(-c2ccccn2)nc(-c2ccccn2)c1.[Fe+2].[Ru+2].[c-]1c(-c2ccccn2)cc(-[c-]2cccc2)cc1-c1ccccn1.c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;2-(3-cyclopenta-2,4-dien-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;iron(2+);4-nitro-2,6-dipyridin-2-ylpyridine;ruthenium(2+);hexafluorophosphate?
The InChIKey is NBYMQGWNWGGRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2.C15H10N4O2.C5H5.F6P.Fe.Ru/c1-2-8-16(7-1)17-13-18(20-9-3-5-11-22-20)15-19(14-17)21-10-4-6-12-23-21;20-19(21)11-9-14(12-5-1-3-7-16-12)18-15(10-11)13-6-2-4-8-17-13;1-2-4-5-3-1;1-7(2,3,4,5)6;;/h1-14H;1-10H;1-5H;;;/q-2;;2*-1;2*+2.
What are the key properties of cyclopenta-1,3-diene;2-(3-cyclopenta-2,4-dien-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;iron(2+);4-nitro-2,6-dipyridin-2-ylpyridine;ruthenium(2+);hexafluorophosphate?
cyclopenta-1,3-diene;2-(3-cyclopenta-2,4-dien-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;iron(2+);4-nitro-2,6-dipyridin-2-ylpyridine;ruthenium(2+);hexafluorophosphate has a molecular weight of 939.60 g/mol, XLogP of 12.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;2-(3-cyclopenta-2,4-dien-1-yl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;iron(2+);4-nitro-2,6-dipyridin-2-ylpyridine;ruthenium(2+);hexafluorophosphate is sourced from PubChem (CID 139258576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).