bis(2,6-dihydroxybenzoate);dysprosium(3+);bis(1,10-phenanthroline);nitrate

C38H26DyN5O11 — CID 139080132

IUPACbis(2,6-dihydroxybenzoate);dysprosium(3+);bis(1,10-phenanthroline);nitrate
SMILESO=C([O-])c1c(O)cccc1O.O=C([O-])c1c(O)cccc1O.O=[N+]([O-])[O-].[Dy+3].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.2C7H6O4.Dy.NO3/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*8-4-2-1-3-5(9)6(4)7(10)11;;2-1(3)4/h2*1-8H;2*1-3,8-9H,(H,10,11);;/q;;;;+3;-1/p-2
InChIKeyVCWKVPCNWRLDEH-UHFFFAOYSA-L
MW891.15 g/mol
LogP4.25
Rot. Bonds2

About bis(2,6-dihydroxybenzoate);dysprosium(3+);bis(1,10-phenanthroline);nitrate

bis(2,6-dihydroxybenzoate);dysprosium(3+);bis(1,10-phenanthroline);nitrate (PubChem CID 139080132) has the molecular formula C38H26DyN5O11 and a molecular weight of 891.15 g/mol. Its IUPAC name is bis(2,6-dihydroxybenzoate);dysprosium(3+);bis(1,10-phenanthroline);nitrate.

Molecular Properties

Compound Namebis(2,6-dihydroxybenzoate);dysprosium(3+);bis(1,10-phenanthroline);nitrate
PubChem CID139080132
Molecular FormulaC38H26DyN5O11
Molecular Weight891.15 g/mol
Exact Mass892.09
IUPAC Namebis(2,6-dihydroxybenzoate);dysprosium(3+);bis(1,10-phenanthroline);nitrate
SMILESO=C([O-])c1c(O)cccc1O.O=C([O-])c1c(O)cccc1O.O=[N+]([O-])[O-].[Dy+3].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.2C7H6O4.Dy.NO3/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*8-4-2-1-3-5(9)6(4)7(10)11;;2-1(3)4/h2*1-8H;2*1-3,8-9H,(H,10,11);;/q;;;;+3;-1/p-2
InChIKeyVCWKVPCNWRLDEH-UHFFFAOYSA-L
XLogP4.25
TPSA278.94 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds2
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.15
LogP ≤ 54.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 139083398
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1,10-phenanthroline-2-carboxylate;terbium(3+)
CID 161309891
bis(1,10-phenanthroline-2-carboxylate);ruthenium(2+)
CID 175903843
lithium 1,10-phenanthroline-2-carboxylate
CID 158215060
copper;quinolin-8-ol;diacetate
CID 161290532
dicopper;(2S)-2-hydroxybutanedioate;tris(1,10-phenanthroline);dinitrate;tetrahydrate
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CID 174635627

Frequently Asked Questions

What is the IUPAC name of bis(2,6-dihydroxybenzoate);dysprosium(3+);bis(1,10-phenanthroline);nitrate?
The IUPAC name of bis(2,6-dihydroxybenzoate);dysprosium(3+);bis(1,10-phenanthroline);nitrate (CID 139080132) is bis(2,6-dihydroxybenzoate);dysprosium(3+);bis(1,10-phenanthroline);nitrate.
What is the SMILES notation for bis(2,6-dihydroxybenzoate);dysprosium(3+);bis(1,10-phenanthroline);nitrate?
The canonical SMILES for bis(2,6-dihydroxybenzoate);dysprosium(3+);bis(1,10-phenanthroline);nitrate is O=C([O-])c1c(O)cccc1O.O=C([O-])c1c(O)cccc1O.O=[N+]([O-])[O-].[Dy+3].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of bis(2,6-dihydroxybenzoate);dysprosium(3+);bis(1,10-phenanthroline);nitrate?
The InChIKey is VCWKVPCNWRLDEH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H8N2.2C7H6O4.Dy.NO3/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*8-4-2-1-3-5(9)6(4)7(10)11;;2-1(3)4/h2*1-8H;2*1-3,8-9H,(H,10,11);;/q;;;;+3;-1/p-2.
What are the key properties of bis(2,6-dihydroxybenzoate);dysprosium(3+);bis(1,10-phenanthroline);nitrate?
bis(2,6-dihydroxybenzoate);dysprosium(3+);bis(1,10-phenanthroline);nitrate has a molecular weight of 891.15 g/mol, XLogP of 4.25, 2 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-dihydroxybenzoate);dysprosium(3+);bis(1,10-phenanthroline);nitrate is sourced from PubChem (CID 139080132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).