dysprosium;dysprosium(3+);methanol;nickel(2+);nickel(3+);tetrakis(pyridin-2-ylmethanolate);pentabenzoate;perchlorate

C63H65ClDy2N4Ni2O22-2 — CID 139160028

IUPACdysprosium;dysprosium(3+);methanol;nickel(2+);nickel(3+);tetrakis(pyridin-2-ylmethanolate);pentabenzoate;perchlorate
SMILESCO.CO.CO.CO.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Dy+3].[Dy].[Ni+2].[Ni+3].[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/5C7H6O2.4C6H6NO.4CH4O.ClHO4.2Dy.2Ni/c5*8-7(9)6-4-2-1-3-5-6;4*8-5-6-3-1-2-4-7-6;4*1-2;2-1(3,4)5;;;;/h5*1-5H,(H,8,9);4*1-4H,5H2;4*2H,1H3;(H,2,3,4,5);;;;/q;;;;;4*-1;;;;;;;+3;+2;+3/p-6
InChIKeyNOLXJGFIIQQSOC-UHFFFAOYSA-H
MW1708.06 g/mol
LogP-6.31
Rot. Bonds9

About dysprosium;dysprosium(3+);methanol;nickel(2+);nickel(3+);tetrakis(pyridin-2-ylmethanolate);pentabenzoate;perchlorate

dysprosium;dysprosium(3+);methanol;nickel(2+);nickel(3+);tetrakis(pyridin-2-ylmethanolate);pentabenzoate;perchlorate (PubChem CID 139160028) has the molecular formula C63H65ClDy2N4Ni2O22-2 and a molecular weight of 1708.06 g/mol. Its IUPAC name is dysprosium;dysprosium(3+);methanol;nickel(2+);nickel(3+);tetrakis(pyridin-2-ylmethanolate);pentabenzoate;perchlorate.

Molecular Properties

Compound Namedysprosium;dysprosium(3+);methanol;nickel(2+);nickel(3+);tetrakis(pyridin-2-ylmethanolate);pentabenzoate;perchlorate
PubChem CID139160028
Molecular FormulaC63H65ClDy2N4Ni2O22-2
Molecular Weight1708.06 g/mol
Exact Mass1708.11
IUPAC Namedysprosium;dysprosium(3+);methanol;nickel(2+);nickel(3+);tetrakis(pyridin-2-ylmethanolate);pentabenzoate;perchlorate
SMILESCO.CO.CO.CO.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Dy+3].[Dy].[Ni+2].[Ni+3].[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/5C7H6O2.4C6H6NO.4CH4O.ClHO4.2Dy.2Ni/c5*8-7(9)6-4-2-1-3-5-6;4*8-5-6-3-1-2-4-7-6;4*1-2;2-1(3,4)5;;;;/h5*1-5H,(H,8,9);4*1-4H,5H2;4*2H,1H3;(H,2,3,4,5);;;;/q;;;;;4*-1;;;;;;;+3;+2;+3/p-6
InChIKeyNOLXJGFIIQQSOC-UHFFFAOYSA-H
XLogP-6.31
TPSA517.61 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds9
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001708.06
LogP ≤ 5-6.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

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Frequently Asked Questions

What is the IUPAC name of dysprosium;dysprosium(3+);methanol;nickel(2+);nickel(3+);tetrakis(pyridin-2-ylmethanolate);pentabenzoate;perchlorate?
The IUPAC name of dysprosium;dysprosium(3+);methanol;nickel(2+);nickel(3+);tetrakis(pyridin-2-ylmethanolate);pentabenzoate;perchlorate (CID 139160028) is dysprosium;dysprosium(3+);methanol;nickel(2+);nickel(3+);tetrakis(pyridin-2-ylmethanolate);pentabenzoate;perchlorate.
What is the SMILES notation for dysprosium;dysprosium(3+);methanol;nickel(2+);nickel(3+);tetrakis(pyridin-2-ylmethanolate);pentabenzoate;perchlorate?
The canonical SMILES for dysprosium;dysprosium(3+);methanol;nickel(2+);nickel(3+);tetrakis(pyridin-2-ylmethanolate);pentabenzoate;perchlorate is CO.CO.CO.CO.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Dy+3].[Dy].[Ni+2].[Ni+3].[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of dysprosium;dysprosium(3+);methanol;nickel(2+);nickel(3+);tetrakis(pyridin-2-ylmethanolate);pentabenzoate;perchlorate?
The InChIKey is NOLXJGFIIQQSOC-UHFFFAOYSA-H. The full InChI is InChI=1S/5C7H6O2.4C6H6NO.4CH4O.ClHO4.2Dy.2Ni/c5*8-7(9)6-4-2-1-3-5-6;4*8-5-6-3-1-2-4-7-6;4*1-2;2-1(3,4)5;;;;/h5*1-5H,(H,8,9);4*1-4H,5H2;4*2H,1H3;(H,2,3,4,5);;;;/q;;;;;4*-1;;;;;;;+3;+2;+3/p-6.
What are the key properties of dysprosium;dysprosium(3+);methanol;nickel(2+);nickel(3+);tetrakis(pyridin-2-ylmethanolate);pentabenzoate;perchlorate?
dysprosium;dysprosium(3+);methanol;nickel(2+);nickel(3+);tetrakis(pyridin-2-ylmethanolate);pentabenzoate;perchlorate has a molecular weight of 1708.06 g/mol, XLogP of -6.31, 9 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for dysprosium;dysprosium(3+);methanol;nickel(2+);nickel(3+);tetrakis(pyridin-2-ylmethanolate);pentabenzoate;perchlorate is sourced from PubChem (CID 139160028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).