erbium(3+);tris(2,3,4,5,6-pentafluorophenolate);tetrakis(pyridine)

C38H20ErF15N4O3 — CID 139126624

IUPACerbium(3+);tris(2,3,4,5,6-pentafluorophenolate);tetrakis(pyridine)
SMILES[Er+3].[O-]c1c(F)c(F)c(F)c(F)c1F.[O-]c1c(F)c(F)c(F)c(F)c1F.[O-]c1c(F)c(F)c(F)c(F)c1F.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/3C6HF5O.4C5H5N.Er/c3*7-1-2(8)4(10)6(12)5(11)3(1)9;4*1-2-4-6-5-3-1;/h3*12H;4*1-5H;/q;;;;;;;+3/p-3
InChIKeyOPHUMACZDHHPKE-UHFFFAOYSA-K
MW1032.83 g/mol
LogP8.69
Rot. Bonds

About erbium(3+);tris(2,3,4,5,6-pentafluorophenolate);tetrakis(pyridine)

erbium(3+);tris(2,3,4,5,6-pentafluorophenolate);tetrakis(pyridine) (PubChem CID 139126624) has the molecular formula C38H20ErF15N4O3 and a molecular weight of 1032.83 g/mol. Its IUPAC name is erbium(3+);tris(2,3,4,5,6-pentafluorophenolate);tetrakis(pyridine).

Molecular Properties

Compound Nameerbium(3+);tris(2,3,4,5,6-pentafluorophenolate);tetrakis(pyridine)
PubChem CID139126624
Molecular FormulaC38H20ErF15N4O3
Molecular Weight1032.83 g/mol
Exact Mass1031.06
IUPAC Nameerbium(3+);tris(2,3,4,5,6-pentafluorophenolate);tetrakis(pyridine)
SMILES[Er+3].[O-]c1c(F)c(F)c(F)c(F)c1F.[O-]c1c(F)c(F)c(F)c(F)c1F.[O-]c1c(F)c(F)c(F)c(F)c1F.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/3C6HF5O.4C5H5N.Er/c3*7-1-2(8)4(10)6(12)5(11)3(1)9;4*1-2-4-6-5-3-1;/h3*12H;4*1-5H;/q;;;;;;;+3/p-3
InChIKeyOPHUMACZDHHPKE-UHFFFAOYSA-K
XLogP8.69
TPSA120.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001032.83
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of erbium(3+);tris(2,3,4,5,6-pentafluorophenolate);tetrakis(pyridine)?
The IUPAC name of erbium(3+);tris(2,3,4,5,6-pentafluorophenolate);tetrakis(pyridine) (CID 139126624) is erbium(3+);tris(2,3,4,5,6-pentafluorophenolate);tetrakis(pyridine).
What is the SMILES notation for erbium(3+);tris(2,3,4,5,6-pentafluorophenolate);tetrakis(pyridine)?
The canonical SMILES for erbium(3+);tris(2,3,4,5,6-pentafluorophenolate);tetrakis(pyridine) is [Er+3].[O-]c1c(F)c(F)c(F)c(F)c1F.[O-]c1c(F)c(F)c(F)c(F)c1F.[O-]c1c(F)c(F)c(F)c(F)c1F.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of erbium(3+);tris(2,3,4,5,6-pentafluorophenolate);tetrakis(pyridine)?
The InChIKey is OPHUMACZDHHPKE-UHFFFAOYSA-K. The full InChI is InChI=1S/3C6HF5O.4C5H5N.Er/c3*7-1-2(8)4(10)6(12)5(11)3(1)9;4*1-2-4-6-5-3-1;/h3*12H;4*1-5H;/q;;;;;;;+3/p-3.
What are the key properties of erbium(3+);tris(2,3,4,5,6-pentafluorophenolate);tetrakis(pyridine)?
erbium(3+);tris(2,3,4,5,6-pentafluorophenolate);tetrakis(pyridine) has a molecular weight of 1032.83 g/mol, XLogP of 8.69, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for erbium(3+);tris(2,3,4,5,6-pentafluorophenolate);tetrakis(pyridine) is sourced from PubChem (CID 139126624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).