dysprosium;bis(4-hydroxypentan-2-one);bis(1,10-phenanthroline);thulium

C34H36DyN4O4Tm — CID 157195176

IUPACdysprosium;bis(4-hydroxypentan-2-one);bis(1,10-phenanthroline);thulium
SMILESCC(=O)CC(C)O.CC(=O)CC(C)O.[Dy].[Tm].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.2C5H10O2.Dy.Tm/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-4(6)3-5(2)7;;/h2*1-8H;2*4,6H,3H2,1-2H3;;
InChIKeyKURWVLVXJFBKJQ-UHFFFAOYSA-N
MW896.12 g/mol
LogP6.26
Rot. Bonds4

About dysprosium;bis(4-hydroxypentan-2-one);bis(1,10-phenanthroline);thulium

dysprosium;bis(4-hydroxypentan-2-one);bis(1,10-phenanthroline);thulium (PubChem CID 157195176) has the molecular formula C34H36DyN4O4Tm and a molecular weight of 896.12 g/mol. Its IUPAC name is dysprosium;bis(4-hydroxypentan-2-one);bis(1,10-phenanthroline);thulium.

Molecular Properties

Compound Namedysprosium;bis(4-hydroxypentan-2-one);bis(1,10-phenanthroline);thulium
PubChem CID157195176
Molecular FormulaC34H36DyN4O4Tm
Molecular Weight896.12 g/mol
Exact Mass897.14
IUPAC Namedysprosium;bis(4-hydroxypentan-2-one);bis(1,10-phenanthroline);thulium
SMILESCC(=O)CC(C)O.CC(=O)CC(C)O.[Dy].[Tm].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.2C5H10O2.Dy.Tm/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-4(6)3-5(2)7;;/h2*1-8H;2*4,6H,3H2,1-2H3;;
InChIKeyKURWVLVXJFBKJQ-UHFFFAOYSA-N
XLogP6.26
TPSA126.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.12
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dysprosium;bis(4-hydroxypentan-2-one);bis(1,10-phenanthroline);thulium?
The IUPAC name of dysprosium;bis(4-hydroxypentan-2-one);bis(1,10-phenanthroline);thulium (CID 157195176) is dysprosium;bis(4-hydroxypentan-2-one);bis(1,10-phenanthroline);thulium.
What is the SMILES notation for dysprosium;bis(4-hydroxypentan-2-one);bis(1,10-phenanthroline);thulium?
The canonical SMILES for dysprosium;bis(4-hydroxypentan-2-one);bis(1,10-phenanthroline);thulium is CC(=O)CC(C)O.CC(=O)CC(C)O.[Dy].[Tm].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of dysprosium;bis(4-hydroxypentan-2-one);bis(1,10-phenanthroline);thulium?
The InChIKey is KURWVLVXJFBKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8N2.2C5H10O2.Dy.Tm/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-4(6)3-5(2)7;;/h2*1-8H;2*4,6H,3H2,1-2H3;;.
What are the key properties of dysprosium;bis(4-hydroxypentan-2-one);bis(1,10-phenanthroline);thulium?
dysprosium;bis(4-hydroxypentan-2-one);bis(1,10-phenanthroline);thulium has a molecular weight of 896.12 g/mol, XLogP of 6.26, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dysprosium;bis(4-hydroxypentan-2-one);bis(1,10-phenanthroline);thulium is sourced from PubChem (CID 157195176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).