bis(dysprosium(3+));tetrakis(2-methylquinolin-1-ium-8-olate);hexanitrate

C40H36Dy2N10O22 — CID 139163221

IUPACbis(dysprosium(3+));tetrakis(2-methylquinolin-1-ium-8-olate);hexanitrate
SMILESCc1ccc2cccc([O-])c2[nH+]1.Cc1ccc2cccc([O-])c2[nH+]1.Cc1ccc2cccc([O-])c2[nH+]1.Cc1ccc2cccc([O-])c2[nH+]1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Dy+3].[Dy+3]
InChIInChI=1S/4C10H9NO.2Dy.6NO3/c4*1-7-5-6-8-3-2-4-9(12)10(8)11-7;;;6*2-1(3)4/h4*2-6,12H,1H3;;;;;;;;/q;;;;2*+3;6*-1
InChIKeyYQZPOEDGSGXDTO-UHFFFAOYSA-N
MW1333.78 g/mol
LogP2.71
Rot. Bonds

About bis(dysprosium(3+));tetrakis(2-methylquinolin-1-ium-8-olate);hexanitrate

bis(dysprosium(3+));tetrakis(2-methylquinolin-1-ium-8-olate);hexanitrate (PubChem CID 139163221) has the molecular formula C40H36Dy2N10O22 and a molecular weight of 1333.78 g/mol. Its IUPAC name is bis(dysprosium(3+));tetrakis(2-methylquinolin-1-ium-8-olate);hexanitrate.

Molecular Properties

Compound Namebis(dysprosium(3+));tetrakis(2-methylquinolin-1-ium-8-olate);hexanitrate
PubChem CID139163221
Molecular FormulaC40H36Dy2N10O22
Molecular Weight1333.78 g/mol
Exact Mass1336.06
IUPAC Namebis(dysprosium(3+));tetrakis(2-methylquinolin-1-ium-8-olate);hexanitrate
SMILESCc1ccc2cccc([O-])c2[nH+]1.Cc1ccc2cccc([O-])c2[nH+]1.Cc1ccc2cccc([O-])c2[nH+]1.Cc1ccc2cccc([O-])c2[nH+]1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Dy+3].[Dy+3]
InChIInChI=1S/4C10H9NO.2Dy.6NO3/c4*1-7-5-6-8-3-2-4-9(12)10(8)11-7;;;6*2-1(3)4/h4*2-6,12H,1H3;;;;;;;;/q;;;;2*+3;6*-1
InChIKeyYQZPOEDGSGXDTO-UHFFFAOYSA-N
XLogP2.71
TPSA546.00 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001333.78
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methylquinolin-1-ium-8-amine
CID 136680242
potassium 2-phenylquinolin-1-ium-8-olate
CID 58233309
6-methylpyridin-1-ium-2-amine;2-nitrophenolate
CID 134163486
iron(3+);tris(2-methylquinolin-8-olate)
CID 139058244
6-methylpyridin-1-ium-2-amine;4-nitrophenolate
CID 134163520
6-methyl-3-nitropyridin-1-ium-2-amine
CID 7098726
lead(2+);bis(1,10-phenanthroline);dinitrate
CID 139206065
silver;[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;nitrate
CID 11457162
copper;bis(1,10-phenanthroline);dinitrate;hydrate
CID 15478309
2,6-dimethyl-4-(3-nitrophenyl)pyridine
CID 3016152
gallium;hexakis(2-methylquinoline-8-carboxylic acid);tris(naphthalen-1-olate)
CID 173278662
8-methyl-2-(2-methyl-4-nitrophenyl)quinoline
CID 624082

Frequently Asked Questions

What is the IUPAC name of bis(dysprosium(3+));tetrakis(2-methylquinolin-1-ium-8-olate);hexanitrate?
The IUPAC name of bis(dysprosium(3+));tetrakis(2-methylquinolin-1-ium-8-olate);hexanitrate (CID 139163221) is bis(dysprosium(3+));tetrakis(2-methylquinolin-1-ium-8-olate);hexanitrate.
What is the SMILES notation for bis(dysprosium(3+));tetrakis(2-methylquinolin-1-ium-8-olate);hexanitrate?
The canonical SMILES for bis(dysprosium(3+));tetrakis(2-methylquinolin-1-ium-8-olate);hexanitrate is Cc1ccc2cccc([O-])c2[nH+]1.Cc1ccc2cccc([O-])c2[nH+]1.Cc1ccc2cccc([O-])c2[nH+]1.Cc1ccc2cccc([O-])c2[nH+]1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Dy+3].[Dy+3].
What is the InChIKey of bis(dysprosium(3+));tetrakis(2-methylquinolin-1-ium-8-olate);hexanitrate?
The InChIKey is YQZPOEDGSGXDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H9NO.2Dy.6NO3/c4*1-7-5-6-8-3-2-4-9(12)10(8)11-7;;;6*2-1(3)4/h4*2-6,12H,1H3;;;;;;;;/q;;;;2*+3;6*-1.
What are the key properties of bis(dysprosium(3+));tetrakis(2-methylquinolin-1-ium-8-olate);hexanitrate?
bis(dysprosium(3+));tetrakis(2-methylquinolin-1-ium-8-olate);hexanitrate has a molecular weight of 1333.78 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dysprosium(3+));tetrakis(2-methylquinolin-1-ium-8-olate);hexanitrate is sourced from PubChem (CID 139163221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).