hexakis(2-chlorobenzoate);bis(dysprosium(3+));bis(2-pyridin-2-ylpyridine)

C62H40Cl6Dy2N4O12 — CID 139063981

IUPAChexakis(2-chlorobenzoate);bis(dysprosium(3+));bis(2-pyridin-2-ylpyridine)
SMILESO=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.[Dy+3].[Dy+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.6C7H5ClO2.2Dy/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;6*8-6-4-2-1-3-5(6)7(9)10;;/h2*1-8H;6*1-4H,(H,9,10);;/q;;;;;;;;2*+3/p-6
InChIKeyHGOCNJKHCNAASI-UHFFFAOYSA-H
MW1570.74 g/mol
LogP8.51
Rot. Bonds8

About hexakis(2-chlorobenzoate);bis(dysprosium(3+));bis(2-pyridin-2-ylpyridine)

hexakis(2-chlorobenzoate);bis(dysprosium(3+));bis(2-pyridin-2-ylpyridine) (PubChem CID 139063981) has the molecular formula C62H40Cl6Dy2N4O12 and a molecular weight of 1570.74 g/mol. Its IUPAC name is hexakis(2-chlorobenzoate);bis(dysprosium(3+));bis(2-pyridin-2-ylpyridine).

Molecular Properties

Compound Namehexakis(2-chlorobenzoate);bis(dysprosium(3+));bis(2-pyridin-2-ylpyridine)
PubChem CID139063981
Molecular FormulaC62H40Cl6Dy2N4O12
Molecular Weight1570.74 g/mol
Exact Mass1569.94
IUPAC Namehexakis(2-chlorobenzoate);bis(dysprosium(3+));bis(2-pyridin-2-ylpyridine)
SMILESO=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.[Dy+3].[Dy+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.6C7H5ClO2.2Dy/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;6*8-6-4-2-1-3-5(6)7(9)10;;/h2*1-8H;6*1-4H,(H,9,10);;/q;;;;;;;;2*+3/p-6
InChIKeyHGOCNJKHCNAASI-UHFFFAOYSA-H
XLogP8.51
TPSA292.34 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001570.74
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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Related Compounds

bis(mu-4-chlorobenzoato-kappa^2^O:O')(4-chlorobenzoato-kappa^2^O,O')(4-chlorobenzoato-kappaO)tetrakis(mu^3^-2-pyridylmethanolato-kappa^4^N,O:O:O)tetracopper(II)
CID 139061183
Tetra-mu-benzoato-bis[benzoato(2,2-bipyridyl)terbium(III)]
CID 139070079
Tetrakis(mu-4-chlorobenzoato)bis[(4-chlorobenzoato)(1,10-phenanthroline)dysprosium(III)]
CID 139070496
bis(mu-2-fluorobenzoato-kappa^2^O:O')di-mu-oxo-bis[(2,2'-bipyridine-kappa^2^N,N')oxoneptunium(V)]
CID 139071396
mu-Aqua-bis(mu-4-chlorobenzoato)bis[(4-chlorobenzoato)(1,10-phenanthroline)manganese(II)]
CID 139072096
Bis(mu-biphenyl-2,2'-dicarboxylato)bis[(2,2'-bipyridine)copper(II)] tetrahydrate
CID 139072456
Tetrakis(mu-anthracene-9-carboxylato)bis[(anthracene-9-carboxylato)(2,2'-bipyridyl)lanthanum(III)]
CID 139074156
Bis(mu-biphenyl-2,2'-dicarboxylato)bis[(2,2'-bipyridine)copper(II)]
CID 139075243
Bis(mu-biphenyl-2,2'-dicarboxylato)bis[(2,2'-bipyridine)cobalt(II)]
CID 139075624
Bis(mu-2'-carboxylatobiphenyl-2-carboxylic acid-kappa^2^O^2^:O^2'^)bis[(2,2'-bipyridine-kappa^2^N,N')(2'-carboxylatobiphenyl-2-carboxylic acid-kappaO^2'^)zinc(II)]
CID 139077931
(2,2'-Bipyridine-kappa^2^N,N')bis(4-chlorobenzoato-kappaO)zinc(II)
CID 139083164
Bis(2,2'-bipyridine-kappa^2^N,N')(3-methylbenzoato-kappa^2^O,O')zinc 3-methylbenzoate-3-methylbenzoic acid-water (1/1/2)
CID 139084629

Frequently Asked Questions

What is the IUPAC name of hexakis(2-chlorobenzoate);bis(dysprosium(3+));bis(2-pyridin-2-ylpyridine)?
The IUPAC name of hexakis(2-chlorobenzoate);bis(dysprosium(3+));bis(2-pyridin-2-ylpyridine) (CID 139063981) is hexakis(2-chlorobenzoate);bis(dysprosium(3+));bis(2-pyridin-2-ylpyridine).
What is the SMILES notation for hexakis(2-chlorobenzoate);bis(dysprosium(3+));bis(2-pyridin-2-ylpyridine)?
The canonical SMILES for hexakis(2-chlorobenzoate);bis(dysprosium(3+));bis(2-pyridin-2-ylpyridine) is O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.[Dy+3].[Dy+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of hexakis(2-chlorobenzoate);bis(dysprosium(3+));bis(2-pyridin-2-ylpyridine)?
The InChIKey is HGOCNJKHCNAASI-UHFFFAOYSA-H. The full InChI is InChI=1S/2C10H8N2.6C7H5ClO2.2Dy/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;6*8-6-4-2-1-3-5(6)7(9)10;;/h2*1-8H;6*1-4H,(H,9,10);;/q;;;;;;;;2*+3/p-6.
What are the key properties of hexakis(2-chlorobenzoate);bis(dysprosium(3+));bis(2-pyridin-2-ylpyridine)?
hexakis(2-chlorobenzoate);bis(dysprosium(3+));bis(2-pyridin-2-ylpyridine) has a molecular weight of 1570.74 g/mol, XLogP of 8.51, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(2-chlorobenzoate);bis(dysprosium(3+));bis(2-pyridin-2-ylpyridine) is sourced from PubChem (CID 139063981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).