zinc;bis(1,10-phenanthroline);acetate;tetrafluoroborate

C26H19BF4N4O2Zn — CID 139066867

IUPACzinc;bis(1,10-phenanthroline);acetate;tetrafluoroborate
SMILESCC(=O)[O-].F[B-](F)(F)F.[Zn+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.C2H4O2.BF4.Zn/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2(3)4;2-1(3,4)5;/h2*1-8H;1H3,(H,3,4);;/q;;;-1;+2/p-1
InChIKeyIMNDDUNVWUTPDO-UHFFFAOYSA-M
MW571.66 g/mol
LogP5.62
Rot. Bonds

About zinc;bis(1,10-phenanthroline);acetate;tetrafluoroborate

zinc;bis(1,10-phenanthroline);acetate;tetrafluoroborate (PubChem CID 139066867) has the molecular formula C26H19BF4N4O2Zn and a molecular weight of 571.66 g/mol. Its IUPAC name is zinc;bis(1,10-phenanthroline);acetate;tetrafluoroborate.

Molecular Properties

Compound Namezinc;bis(1,10-phenanthroline);acetate;tetrafluoroborate
PubChem CID139066867
Molecular FormulaC26H19BF4N4O2Zn
Molecular Weight571.66 g/mol
Exact Mass570.08
IUPAC Namezinc;bis(1,10-phenanthroline);acetate;tetrafluoroborate
SMILESCC(=O)[O-].F[B-](F)(F)F.[Zn+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.C2H4O2.BF4.Zn/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2(3)4;2-1(3,4)5;/h2*1-8H;1H3,(H,3,4);;/q;;;-1;+2/p-1
InChIKeyIMNDDUNVWUTPDO-UHFFFAOYSA-M
XLogP5.62
TPSA91.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.66
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc;bis(1,10-phenanthroline);acetate;tetrafluoroborate?
The IUPAC name of zinc;bis(1,10-phenanthroline);acetate;tetrafluoroborate (CID 139066867) is zinc;bis(1,10-phenanthroline);acetate;tetrafluoroborate.
What is the SMILES notation for zinc;bis(1,10-phenanthroline);acetate;tetrafluoroborate?
The canonical SMILES for zinc;bis(1,10-phenanthroline);acetate;tetrafluoroborate is CC(=O)[O-].F[B-](F)(F)F.[Zn+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of zinc;bis(1,10-phenanthroline);acetate;tetrafluoroborate?
The InChIKey is IMNDDUNVWUTPDO-UHFFFAOYSA-M. The full InChI is InChI=1S/2C12H8N2.C2H4O2.BF4.Zn/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2(3)4;2-1(3,4)5;/h2*1-8H;1H3,(H,3,4);;/q;;;-1;+2/p-1.
What are the key properties of zinc;bis(1,10-phenanthroline);acetate;tetrafluoroborate?
zinc;bis(1,10-phenanthroline);acetate;tetrafluoroborate has a molecular weight of 571.66 g/mol, XLogP of 5.62, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;bis(1,10-phenanthroline);acetate;tetrafluoroborate is sourced from PubChem (CID 139066867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).