cobalt(3+);tris(1,10-phenanthroline);trihexafluorophosphate

C36H24CoF18N6P3 — CID 15494322

IUPACcobalt(3+);tris(1,10-phenanthroline);trihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Co+3].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/3C12H8N2.Co.3F6P/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;3*1-7(2,3,4,5)6/h3*1-8H;;;;/q;;;+3;3*-1
InChIKeyJYGNLHURFRGGRD-UHFFFAOYSA-N
MW1034.45 g/mol
LogP18.49
Rot. Bonds

About cobalt(3+);tris(1,10-phenanthroline);trihexafluorophosphate

cobalt(3+);tris(1,10-phenanthroline);trihexafluorophosphate (PubChem CID 15494322) has the molecular formula C36H24CoF18N6P3 and a molecular weight of 1034.45 g/mol. Its IUPAC name is cobalt(3+);tris(1,10-phenanthroline);trihexafluorophosphate.

Molecular Properties

Compound Namecobalt(3+);tris(1,10-phenanthroline);trihexafluorophosphate
PubChem CID15494322
Molecular FormulaC36H24CoF18N6P3
Molecular Weight1034.45 g/mol
Exact Mass1034.03
IUPAC Namecobalt(3+);tris(1,10-phenanthroline);trihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Co+3].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/3C12H8N2.Co.3F6P/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;3*1-7(2,3,4,5)6/h3*1-8H;;;;/q;;;+3;3*-1
InChIKeyJYGNLHURFRGGRD-UHFFFAOYSA-N
XLogP18.49
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001034.45
LogP ≤ 518.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', '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 cobalt(3+);tris(1,10-phenanthroline);trihexafluorophosphate?
The IUPAC name of cobalt(3+);tris(1,10-phenanthroline);trihexafluorophosphate (CID 15494322) is cobalt(3+);tris(1,10-phenanthroline);trihexafluorophosphate.
What is the SMILES notation for cobalt(3+);tris(1,10-phenanthroline);trihexafluorophosphate?
The canonical SMILES for cobalt(3+);tris(1,10-phenanthroline);trihexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Co+3].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of cobalt(3+);tris(1,10-phenanthroline);trihexafluorophosphate?
The InChIKey is JYGNLHURFRGGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H8N2.Co.3F6P/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;3*1-7(2,3,4,5)6/h3*1-8H;;;;/q;;;+3;3*-1.
What are the key properties of cobalt(3+);tris(1,10-phenanthroline);trihexafluorophosphate?
cobalt(3+);tris(1,10-phenanthroline);trihexafluorophosphate has a molecular weight of 1034.45 g/mol, XLogP of 18.49, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);tris(1,10-phenanthroline);trihexafluorophosphate is sourced from PubChem (CID 15494322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).