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

C63H65ClN4Ni2O22Y2-2 — CID 139160030

IUPACmethanol;nickel(2+);nickel(3+);tetrakis(pyridin-2-ylmethanolate);yttrium;yttrium(3+);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.[Ni+2].[Ni+3].[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-][Cl+3]([O-])([O-])[O-].[Y+3].[Y]
InChIInChI=1S/5C7H6O2.4C6H6NO.4CH4O.ClHO4.2Ni.2Y/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;;;;;;+2;+3;;+3/p-6
InChIKeyUXSBACPOIFASPK-UHFFFAOYSA-H
MW1560.87 g/mol
LogP-6.31
Rot. Bonds9

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

methanol;nickel(2+);nickel(3+);tetrakis(pyridin-2-ylmethanolate);yttrium;yttrium(3+);pentabenzoate;perchlorate (PubChem CID 139160030) has the molecular formula C63H65ClN4Ni2O22Y2-2 and a molecular weight of 1560.87 g/mol. Its IUPAC name is methanol;nickel(2+);nickel(3+);tetrakis(pyridin-2-ylmethanolate);yttrium;yttrium(3+);pentabenzoate;perchlorate.

Molecular Properties

Compound Namemethanol;nickel(2+);nickel(3+);tetrakis(pyridin-2-ylmethanolate);yttrium;yttrium(3+);pentabenzoate;perchlorate
PubChem CID139160030
Molecular FormulaC63H65ClN4Ni2O22Y2-2
Molecular Weight1560.87 g/mol
Exact Mass1558.06
IUPAC Namemethanol;nickel(2+);nickel(3+);tetrakis(pyridin-2-ylmethanolate);yttrium;yttrium(3+);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.[Ni+2].[Ni+3].[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-][Cl+3]([O-])([O-])[O-].[Y+3].[Y]
InChIInChI=1S/5C7H6O2.4C6H6NO.4CH4O.ClHO4.2Ni.2Y/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;;;;;;+2;+3;;+3/p-6
InChIKeyUXSBACPOIFASPK-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 ≤ 5001560.87
LogP ≤ 5-6.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

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Related Compounds

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CID 139052977
Bis(dichloromethane);dodecakis(manganese(2+));tetrakis(manganese(3+));methanol;tetrakis(oxygen(2-));octakis(pyridin-2-ylmethanolate);icosabenzoate
CID 139132652
dodecakis(iron(3+));tetrakis((Z)-3-oxo-1,3-dipyridin-2-ylprop-1-en-1-olate);tetrakis(oxygen(2-));octabenzoate;dodecahydroxide;tetraperchlorate
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[Cu(II) dipicolinate longbpy MeOH]
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Dysprosium;dysprosium(3+);methanol;nickel(2+);nickel(3+);tetrakis(pyridin-2-ylmethanolate);pentabenzoate;perchlorate
CID 139160028
Dizinc;bis(dysprosium(3+));methanol;tetrakis(pyridin-2-ylmethanolate);pentabenzoate;perchlorate
CID 139160029
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CID 139202367
Di-mu-benzato-kappa^4^O:O'-bis[aqua(benzato-kappaO)(benzato-kappa^2^O,O')(2,2':6',2''-terpyridine-kappa^3^N,N',N'')europium(III)]-benzoic acid (1/2)
CID 168326336
tetrakis(2,2-dimethylpropanoate);tetrakis(nickel(2+));tetrakis((1R)-1-pyridin-2-ylethanolate)
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Dioxidanium;cadmium;bis(cadmium(2+));methanol;hexadecakis(pyridine);bis(3-[10,15,20-tris(3-carboxylatophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraid-5-yl]benzoate)
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Frequently Asked Questions

What is the IUPAC name of methanol;nickel(2+);nickel(3+);tetrakis(pyridin-2-ylmethanolate);yttrium;yttrium(3+);pentabenzoate;perchlorate?
The IUPAC name of methanol;nickel(2+);nickel(3+);tetrakis(pyridin-2-ylmethanolate);yttrium;yttrium(3+);pentabenzoate;perchlorate (CID 139160030) is methanol;nickel(2+);nickel(3+);tetrakis(pyridin-2-ylmethanolate);yttrium;yttrium(3+);pentabenzoate;perchlorate.
What is the SMILES notation for methanol;nickel(2+);nickel(3+);tetrakis(pyridin-2-ylmethanolate);yttrium;yttrium(3+);pentabenzoate;perchlorate?
The canonical SMILES for methanol;nickel(2+);nickel(3+);tetrakis(pyridin-2-ylmethanolate);yttrium;yttrium(3+);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.[Ni+2].[Ni+3].[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-][Cl+3]([O-])([O-])[O-].[Y+3].[Y].
What is the InChIKey of methanol;nickel(2+);nickel(3+);tetrakis(pyridin-2-ylmethanolate);yttrium;yttrium(3+);pentabenzoate;perchlorate?
The InChIKey is UXSBACPOIFASPK-UHFFFAOYSA-H. The full InChI is InChI=1S/5C7H6O2.4C6H6NO.4CH4O.ClHO4.2Ni.2Y/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;;;;;;+2;+3;;+3/p-6.
What are the key properties of methanol;nickel(2+);nickel(3+);tetrakis(pyridin-2-ylmethanolate);yttrium;yttrium(3+);pentabenzoate;perchlorate?
methanol;nickel(2+);nickel(3+);tetrakis(pyridin-2-ylmethanolate);yttrium;yttrium(3+);pentabenzoate;perchlorate has a molecular weight of 1560.87 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 methanol;nickel(2+);nickel(3+);tetrakis(pyridin-2-ylmethanolate);yttrium;yttrium(3+);pentabenzoate;perchlorate is sourced from PubChem (CID 139160030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).