bis(dichloromethane);tetrakis(dysprosium(3+));tetrakis((Z)-4-oxopent-2-en-2-olate);hexakis(quinolin-8-olate);dihydroxide

C76H70Cl4Dy4N6O16 — CID 139167797

IUPACbis(dichloromethane);tetrakis(dysprosium(3+));tetrakis((Z)-4-oxopent-2-en-2-olate);hexakis(quinolin-8-olate);dihydroxide
SMILESCC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].ClCCl.ClCCl.[Dy+3].[Dy+3].[Dy+3].[Dy+3].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[OH-].[OH-]
InChIInChI=1S/6C9H7NO.4C5H8O2.2CH2Cl2.4Dy.2H2O/c6*11-8-5-1-3-7-4-2-6-10-9(7)8;4*1-4(6)3-5(2)7;2*2-1-3;;;;;;/h6*1-6,11H;4*3,6H,1-2H3;2*1H2;;;;;2*1H2/q;;;;;;;;;;;;4*+3;;/p-12/b;;;;;;4*4-3-;;;;;;;;
InChIKeyXCSWEGYRKXXDIG-JUGFDHLTSA-B
MW2115.23 g/mol
LogP9.70
Rot. Bonds4

About bis(dichloromethane);tetrakis(dysprosium(3+));tetrakis((Z)-4-oxopent-2-en-2-olate);hexakis(quinolin-8-olate);dihydroxide

bis(dichloromethane);tetrakis(dysprosium(3+));tetrakis((Z)-4-oxopent-2-en-2-olate);hexakis(quinolin-8-olate);dihydroxide (PubChem CID 139167797) has the molecular formula C76H70Cl4Dy4N6O16 and a molecular weight of 2115.23 g/mol. Its IUPAC name is bis(dichloromethane);tetrakis(dysprosium(3+));tetrakis((Z)-4-oxopent-2-en-2-olate);hexakis(quinolin-8-olate);dihydroxide.

Molecular Properties

Compound Namebis(dichloromethane);tetrakis(dysprosium(3+));tetrakis((Z)-4-oxopent-2-en-2-olate);hexakis(quinolin-8-olate);dihydroxide
PubChem CID139167797
Molecular FormulaC76H70Cl4Dy4N6O16
Molecular Weight2115.23 g/mol
Exact Mass2118.08
IUPAC Namebis(dichloromethane);tetrakis(dysprosium(3+));tetrakis((Z)-4-oxopent-2-en-2-olate);hexakis(quinolin-8-olate);dihydroxide
SMILESCC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].ClCCl.ClCCl.[Dy+3].[Dy+3].[Dy+3].[Dy+3].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[OH-].[OH-]
InChIInChI=1S/6C9H7NO.4C5H8O2.2CH2Cl2.4Dy.2H2O/c6*11-8-5-1-3-7-4-2-6-10-9(7)8;4*1-4(6)3-5(2)7;2*2-1-3;;;;;;/h6*1-6,11H;4*3,6H,1-2H3;2*1H2;;;;;2*1H2/q;;;;;;;;;;;;4*+3;;/p-12/b;;;;;;4*4-3-;;;;;;;;
InChIKeyXCSWEGYRKXXDIG-JUGFDHLTSA-B
XLogP9.70
TPSA436.22 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds4
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002115.23
LogP ≤ 59.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Bis(acetato-kappaO)bis(mu~3~-quinolin-8-olato-kappa^4^N,O:O:O)tetrakis(mu~2~-quinolin-8-olato-kappa^3^N,O:O)tetrazinc(II) dihydrate
CID 139076884
Dizinc;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-olate);diperchlorate
CID 139127859
tris(dysprosium(3+));(NE,2Z)-3-hydroxy-N-[(8-oxidoquinolin-2-yl)methylidene]pyridine-2-carbohydrazonate;methanol;bis(2-[(E)-[[(Z)-oxido-(3-oxo-2-pyridinylidene)methyl]hydrazinylidene]methyl]quinolin-8-olate);hydroxide;diperchlorate
CID 139143059
1,2-Dimethoxyethane;hexakis(quinolin-8-olate);bis(scandium(3+))
CID 139156738
Magnesium;chloroform;bis(dysprosium(3+));octakis(quinolin-8-olate)
CID 139170863
Calcium;bis(dysprosium(3+));octakis(quinolin-8-olate)
CID 139170864
Dicalcium;chloroform;tetrakis(erbium(3+));hexadecakis(quinolin-8-olate)
CID 139170865
Magnesium;chloroform;bis(erbium(3+));octakis(quinolin-8-olate)
CID 139170866
tetrakis(dysprosium(3+));tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);hexakis(5-(pyridin-4-ylmethylideneamino)quinolin-8-olate);dihydroxide
CID 139172231
tetrakis(erbium(3+));tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);hexakis(5-(pyridin-4-ylmethylideneamino)quinolin-8-olate);dihydroxide
CID 139172233
tetrakis(gadolinium(3+));tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);hexakis(5-(pyridin-4-ylmethylideneamino)quinolin-8-olate);dihydroxide
CID 139172234
tetrakis(holmium(3+));tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);hexakis(5-(pyridin-4-ylmethylideneamino)quinolin-8-olate);dihydroxide
CID 139172235

Frequently Asked Questions

What is the IUPAC name of bis(dichloromethane);tetrakis(dysprosium(3+));tetrakis((Z)-4-oxopent-2-en-2-olate);hexakis(quinolin-8-olate);dihydroxide?
The IUPAC name of bis(dichloromethane);tetrakis(dysprosium(3+));tetrakis((Z)-4-oxopent-2-en-2-olate);hexakis(quinolin-8-olate);dihydroxide (CID 139167797) is bis(dichloromethane);tetrakis(dysprosium(3+));tetrakis((Z)-4-oxopent-2-en-2-olate);hexakis(quinolin-8-olate);dihydroxide.
What is the SMILES notation for bis(dichloromethane);tetrakis(dysprosium(3+));tetrakis((Z)-4-oxopent-2-en-2-olate);hexakis(quinolin-8-olate);dihydroxide?
The canonical SMILES for bis(dichloromethane);tetrakis(dysprosium(3+));tetrakis((Z)-4-oxopent-2-en-2-olate);hexakis(quinolin-8-olate);dihydroxide is CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].ClCCl.ClCCl.[Dy+3].[Dy+3].[Dy+3].[Dy+3].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[OH-].[OH-].
What is the InChIKey of bis(dichloromethane);tetrakis(dysprosium(3+));tetrakis((Z)-4-oxopent-2-en-2-olate);hexakis(quinolin-8-olate);dihydroxide?
The InChIKey is XCSWEGYRKXXDIG-JUGFDHLTSA-B. The full InChI is InChI=1S/6C9H7NO.4C5H8O2.2CH2Cl2.4Dy.2H2O/c6*11-8-5-1-3-7-4-2-6-10-9(7)8;4*1-4(6)3-5(2)7;2*2-1-3;;;;;;/h6*1-6,11H;4*3,6H,1-2H3;2*1H2;;;;;2*1H2/q;;;;;;;;;;;;4*+3;;/p-12/b;;;;;;4*4-3-;;;;;;;;.
What are the key properties of bis(dichloromethane);tetrakis(dysprosium(3+));tetrakis((Z)-4-oxopent-2-en-2-olate);hexakis(quinolin-8-olate);dihydroxide?
bis(dichloromethane);tetrakis(dysprosium(3+));tetrakis((Z)-4-oxopent-2-en-2-olate);hexakis(quinolin-8-olate);dihydroxide has a molecular weight of 2115.23 g/mol, XLogP of 9.70, 4 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dichloromethane);tetrakis(dysprosium(3+));tetrakis((Z)-4-oxopent-2-en-2-olate);hexakis(quinolin-8-olate);dihydroxide is sourced from PubChem (CID 139167797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).