hydroxymethanone;1,10-phenanthroline-1,10-diide;terbium(3+)

C13H9N2O2Tb — CID 174476784

IUPAChydroxymethanone;1,10-phenanthroline-1,10-diide;terbium(3+)
SMILESC1=C[N-]c2c3c(ccc2=C1)=CC=C[N-]3.O=[C-]O.[Tb+3]
InChIInChI=1S/C12H8N2.CHO2.Tb/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2-1-3;/h1-8H;(H,2,3);/q-2;-1;+3
InChIKeyHLWUCUGGDHHUAK-UHFFFAOYSA-N
MW384.15 g/mol
LogP1.92
Rot. Bonds

About hydroxymethanone;1,10-phenanthroline-1,10-diide;terbium(3+)

hydroxymethanone;1,10-phenanthroline-1,10-diide;terbium(3+) (PubChem CID 174476784) has the molecular formula C13H9N2O2Tb and a molecular weight of 384.15 g/mol. Its IUPAC name is hydroxymethanone;1,10-phenanthroline-1,10-diide;terbium(3+).

Molecular Properties

Compound Namehydroxymethanone;1,10-phenanthroline-1,10-diide;terbium(3+)
PubChem CID174476784
Molecular FormulaC13H9N2O2Tb
Molecular Weight384.15 g/mol
Exact Mass383.99
IUPAC Namehydroxymethanone;1,10-phenanthroline-1,10-diide;terbium(3+)
SMILESC1=C[N-]c2c3c(ccc2=C1)=CC=C[N-]3.O=[C-]O.[Tb+3]
InChIInChI=1S/C12H8N2.CHO2.Tb/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2-1-3;/h1-8H;(H,2,3);/q-2;-1;+3
InChIKeyHLWUCUGGDHHUAK-UHFFFAOYSA-N
XLogP1.92
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.15
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxymethanone;1,10-phenanthroline-1,10-diide;terbium(3+)?
The IUPAC name of hydroxymethanone;1,10-phenanthroline-1,10-diide;terbium(3+) (CID 174476784) is hydroxymethanone;1,10-phenanthroline-1,10-diide;terbium(3+).
What is the SMILES notation for hydroxymethanone;1,10-phenanthroline-1,10-diide;terbium(3+)?
The canonical SMILES for hydroxymethanone;1,10-phenanthroline-1,10-diide;terbium(3+) is C1=C[N-]c2c3c(ccc2=C1)=CC=C[N-]3.O=[C-]O.[Tb+3].
What is the InChIKey of hydroxymethanone;1,10-phenanthroline-1,10-diide;terbium(3+)?
The InChIKey is HLWUCUGGDHHUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2.CHO2.Tb/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2-1-3;/h1-8H;(H,2,3);/q-2;-1;+3.
What are the key properties of hydroxymethanone;1,10-phenanthroline-1,10-diide;terbium(3+)?
hydroxymethanone;1,10-phenanthroline-1,10-diide;terbium(3+) has a molecular weight of 384.15 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethanone;1,10-phenanthroline-1,10-diide;terbium(3+) is sourced from PubChem (CID 174476784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).