iron(2+);bis(4-phenyl-2,6-dipyridin-2-ylpyridine);dichloride;decahydrate

C42H50Cl2FeN6O10 — CID 139145220

IUPACiron(2+);bis(4-phenyl-2,6-dipyridin-2-ylpyridine);dichloride;decahydrate
SMILESO.O.O.O.O.O.O.O.O.O.[Cl-].[Cl-].[Fe+2].c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/2C21H15N3.2ClH.Fe.10H2O/c2*1-2-8-16(9-3-1)17-14-20(18-10-4-6-12-22-18)24-21(15-17)19-11-5-7-13-23-19;;;;;;;;;;;;;/h2*1-15H;2*1H;;10*1H2/q;;;;+2;;;;;;;;;;/p-2
InChIKeyUKVTWVXZJYFDHN-UHFFFAOYSA-L
MW925.65 g/mol
LogP-4.50
Rot. Bonds6

About iron(2+);bis(4-phenyl-2,6-dipyridin-2-ylpyridine);dichloride;decahydrate

iron(2+);bis(4-phenyl-2,6-dipyridin-2-ylpyridine);dichloride;decahydrate (PubChem CID 139145220) has the molecular formula C42H50Cl2FeN6O10 and a molecular weight of 925.65 g/mol. Its IUPAC name is iron(2+);bis(4-phenyl-2,6-dipyridin-2-ylpyridine);dichloride;decahydrate.

Molecular Properties

Compound Nameiron(2+);bis(4-phenyl-2,6-dipyridin-2-ylpyridine);dichloride;decahydrate
PubChem CID139145220
Molecular FormulaC42H50Cl2FeN6O10
Molecular Weight925.65 g/mol
Exact Mass924.23
IUPAC Nameiron(2+);bis(4-phenyl-2,6-dipyridin-2-ylpyridine);dichloride;decahydrate
SMILESO.O.O.O.O.O.O.O.O.O.[Cl-].[Cl-].[Fe+2].c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/2C21H15N3.2ClH.Fe.10H2O/c2*1-2-8-16(9-3-1)17-14-20(18-10-4-6-12-22-18)24-21(15-17)19-11-5-7-13-23-19;;;;;;;;;;;;;/h2*1-15H;2*1H;;10*1H2/q;;;;+2;;;;;;;;;;/p-2
InChIKeyUKVTWVXZJYFDHN-UHFFFAOYSA-L
XLogP-4.50
TPSA392.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500925.65
LogP ≤ 5-4.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Tris(2,2a(2)-bipyridyl)dichlororuthenium(II) hexahydrate
CID 165340051
Ru(II)(bpy)2(Mebpy-cyclam-Ni(II))
CID 16683889
Ru(II)(bpy)2(Mebpy-cyclam-Zn(II))
CID 16683890
Ru(II)(bpy)2(Mebpy-cyclam-Cu(II))
CID 16683891
Ru(II)(bpy)2(Mebpy-cyclam-Fe(III)-Cl2)
CID 16683892
Ru(II)(bpy)2(Mebpy-cyclam-Co(III)-Cl2)
CID 16683893
4-Methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 5494444
[mu-1,2-Bis(4-pyridyl)ethane-kappa^2^N:N']bis[(4'-phenyl-2,2':6',2''-terpyridine-kappa^3^N,N',N'')silver(I)] bis(trifluoromethanesulfonate)
CID 139080008
Bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]pyridine;diperchlorate
CID 139163369
Gross107 (Sudhakar)
CID 139174614
Tris(2,2'-bipyridyl-N,N')iron(II) diperchlorate
CID 139057872
Tetrakis(bis(pyridin-2-ylmethyl)azanide);bis(iron(2+))
CID 139115232

Frequently Asked Questions

What is the IUPAC name of iron(2+);bis(4-phenyl-2,6-dipyridin-2-ylpyridine);dichloride;decahydrate?
The IUPAC name of iron(2+);bis(4-phenyl-2,6-dipyridin-2-ylpyridine);dichloride;decahydrate (CID 139145220) is iron(2+);bis(4-phenyl-2,6-dipyridin-2-ylpyridine);dichloride;decahydrate.
What is the SMILES notation for iron(2+);bis(4-phenyl-2,6-dipyridin-2-ylpyridine);dichloride;decahydrate?
The canonical SMILES for iron(2+);bis(4-phenyl-2,6-dipyridin-2-ylpyridine);dichloride;decahydrate is O.O.O.O.O.O.O.O.O.O.[Cl-].[Cl-].[Fe+2].c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.
What is the InChIKey of iron(2+);bis(4-phenyl-2,6-dipyridin-2-ylpyridine);dichloride;decahydrate?
The InChIKey is UKVTWVXZJYFDHN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C21H15N3.2ClH.Fe.10H2O/c2*1-2-8-16(9-3-1)17-14-20(18-10-4-6-12-22-18)24-21(15-17)19-11-5-7-13-23-19;;;;;;;;;;;;;/h2*1-15H;2*1H;;10*1H2/q;;;;+2;;;;;;;;;;/p-2.
What are the key properties of iron(2+);bis(4-phenyl-2,6-dipyridin-2-ylpyridine);dichloride;decahydrate?
iron(2+);bis(4-phenyl-2,6-dipyridin-2-ylpyridine);dichloride;decahydrate has a molecular weight of 925.65 g/mol, XLogP of -4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for iron(2+);bis(4-phenyl-2,6-dipyridin-2-ylpyridine);dichloride;decahydrate is sourced from PubChem (CID 139145220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).