hexakis(dichloromethane);tetrakis(nickel(2+));octakis(pyridin-2-ylmethanol);octachloride

C54H68Cl20N8Ni4O8 — CID 139150637

IUPAChexakis(dichloromethane);tetrakis(nickel(2+));octakis(pyridin-2-ylmethanol);octachloride
SMILESClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.OCc1ccccn1.OCc1ccccn1.OCc1ccccn1.OCc1ccccn1.OCc1ccccn1.OCc1ccccn1.OCc1ccccn1.OCc1ccccn1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ni+2].[Ni+2].[Ni+2].[Ni+2]
InChIInChI=1S/8C6H7NO.6CH2Cl2.8ClH.4Ni/c8*8-5-6-3-1-2-4-7-6;6*2-1-3;;;;;;;;;;;;/h8*1-4,8H,5H2;6*1H2;8*1H;;;;/q;;;;;;;;;;;;;;;;;;;;;;4*+2/p-8
InChIKeyRYKOBFDGCFSZIP-UHFFFAOYSA-F
MW1901.02 g/mol
LogP-10.86
Rot. Bonds8

About hexakis(dichloromethane);tetrakis(nickel(2+));octakis(pyridin-2-ylmethanol);octachloride

hexakis(dichloromethane);tetrakis(nickel(2+));octakis(pyridin-2-ylmethanol);octachloride (PubChem CID 139150637) has the molecular formula C54H68Cl20N8Ni4O8 and a molecular weight of 1901.02 g/mol. Its IUPAC name is hexakis(dichloromethane);tetrakis(nickel(2+));octakis(pyridin-2-ylmethanol);octachloride.

Molecular Properties

Compound Namehexakis(dichloromethane);tetrakis(nickel(2+));octakis(pyridin-2-ylmethanol);octachloride
PubChem CID139150637
Molecular FormulaC54H68Cl20N8Ni4O8
Molecular Weight1901.02 g/mol
Exact Mass1887.63
IUPAC Namehexakis(dichloromethane);tetrakis(nickel(2+));octakis(pyridin-2-ylmethanol);octachloride
SMILESClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.OCc1ccccn1.OCc1ccccn1.OCc1ccccn1.OCc1ccccn1.OCc1ccccn1.OCc1ccccn1.OCc1ccccn1.OCc1ccccn1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ni+2].[Ni+2].[Ni+2].[Ni+2]
InChIInChI=1S/8C6H7NO.6CH2Cl2.8ClH.4Ni/c8*8-5-6-3-1-2-4-7-6;6*2-1-3;;;;;;;;;;;;/h8*1-4,8H,5H2;6*1H2;8*1H;;;;/q;;;;;;;;;;;;;;;;;;;;;;4*+2/p-8
InChIKeyRYKOBFDGCFSZIP-UHFFFAOYSA-F
XLogP-10.86
TPSA264.96 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001901.02
LogP ≤ 5-10.86
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Related Compounds

Bis(di-2-pyridyl-1-hydroxymethoxy)cobalt(III) Perchlorate Trihydrate
CID 139055892
bis(di-2-pyridylmethanediol-N,N')iron(III) nitrate dihydrate
CID 139065552
Dichloromethane;nickel(2+);tris(pyridin-2-ylmethanol);dichloride
CID 139150639
Heptakis(cobalt(2+));tetrakis(dichloromethane);dodecakis(pyridin-2-ylmethanolate);dichloride
CID 139157089
Octacopper;octakis(pyridin-2-ylmethanolate);hexaacetate;diperchlorate
CID 139159160
Bis(cadmium(2+));methanol;bis(tris(6-pyridin-2-yl-2-pyridinyl)methanol);tetraperchlorate
CID 139161444
bis(2-N,6-N-bis(pyridin-2-ylmethyl)pyridine-2,6-dicarboximidate);bis(mercury(2+));pentahydrate
CID 139165368
Dicopper;bis(pyridin-2-ylmethanol);tetrakis(pyridin-2-ylmethanolate)
CID 139173113
Cobalt(3+);bis(hydroxy(dipyridin-2-yl)methanolate);perchlorate;dihydrate
CID 139173523
Decasodium;hexakis(nickel(2+));icosakis(pyridin-2-ylmethanolate);dihydroxide
CID 139184633
mu-Oxo-bis{[(6-hydroxymethyl-2-pyridylmethyl)bis(2-pyridylmethyl)amine-kappa^5^N,N',N'',N''',O]iron(III)} tetrakis(perchlorate)
CID 168307824
Tetrakis(iron(3+));methanol;hexakis(pyridin-2-ylmethanolate);hexaazide
CID 168336855

Frequently Asked Questions

What is the IUPAC name of hexakis(dichloromethane);tetrakis(nickel(2+));octakis(pyridin-2-ylmethanol);octachloride?
The IUPAC name of hexakis(dichloromethane);tetrakis(nickel(2+));octakis(pyridin-2-ylmethanol);octachloride (CID 139150637) is hexakis(dichloromethane);tetrakis(nickel(2+));octakis(pyridin-2-ylmethanol);octachloride.
What is the SMILES notation for hexakis(dichloromethane);tetrakis(nickel(2+));octakis(pyridin-2-ylmethanol);octachloride?
The canonical SMILES for hexakis(dichloromethane);tetrakis(nickel(2+));octakis(pyridin-2-ylmethanol);octachloride is ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.OCc1ccccn1.OCc1ccccn1.OCc1ccccn1.OCc1ccccn1.OCc1ccccn1.OCc1ccccn1.OCc1ccccn1.OCc1ccccn1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ni+2].[Ni+2].[Ni+2].[Ni+2].
What is the InChIKey of hexakis(dichloromethane);tetrakis(nickel(2+));octakis(pyridin-2-ylmethanol);octachloride?
The InChIKey is RYKOBFDGCFSZIP-UHFFFAOYSA-F. The full InChI is InChI=1S/8C6H7NO.6CH2Cl2.8ClH.4Ni/c8*8-5-6-3-1-2-4-7-6;6*2-1-3;;;;;;;;;;;;/h8*1-4,8H,5H2;6*1H2;8*1H;;;;/q;;;;;;;;;;;;;;;;;;;;;;4*+2/p-8.
What are the key properties of hexakis(dichloromethane);tetrakis(nickel(2+));octakis(pyridin-2-ylmethanol);octachloride?
hexakis(dichloromethane);tetrakis(nickel(2+));octakis(pyridin-2-ylmethanol);octachloride has a molecular weight of 1901.02 g/mol, XLogP of -10.86, 8 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(dichloromethane);tetrakis(nickel(2+));octakis(pyridin-2-ylmethanol);octachloride is sourced from PubChem (CID 139150637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).