tris(2,3,4,5,6-pentafluorophenyl)bismuthane

C18BiF15 — CID 11072563

IUPACtris(2,3,4,5,6-pentafluorophenyl)bismuthane
SMILESFc1c(F)c(F)c([Bi](c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/3C6F5.Bi/c3*7-2-1-3(8)5(10)6(11)4(2)9;
InChIKeyIBPUURYQVFCBHY-UHFFFAOYSA-N
MW710.15 g/mol
LogP4.29
Rot. Bonds3

About tris(2,3,4,5,6-pentafluorophenyl)bismuthane

tris(2,3,4,5,6-pentafluorophenyl)bismuthane (PubChem CID 11072563) has the molecular formula C18BiF15 and a molecular weight of 710.15 g/mol. Its IUPAC name is tris(2,3,4,5,6-pentafluorophenyl)bismuthane.

Molecular Properties

Compound Nametris(2,3,4,5,6-pentafluorophenyl)bismuthane
PubChem CID11072563
Molecular FormulaC18BiF15
Molecular Weight710.15 g/mol
Exact Mass709.96
IUPAC Nametris(2,3,4,5,6-pentafluorophenyl)bismuthane
SMILESFc1c(F)c(F)c([Bi](c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/3C6F5.Bi/c3*7-2-1-3(8)5(10)6(11)4(2)9;
InChIKeyIBPUURYQVFCBHY-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500710.15
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 tris(2,3,4,5,6-pentafluorophenyl)bismuthane?
The IUPAC name of tris(2,3,4,5,6-pentafluorophenyl)bismuthane (CID 11072563) is tris(2,3,4,5,6-pentafluorophenyl)bismuthane.
What is the SMILES notation for tris(2,3,4,5,6-pentafluorophenyl)bismuthane?
The canonical SMILES for tris(2,3,4,5,6-pentafluorophenyl)bismuthane is Fc1c(F)c(F)c([Bi](c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of tris(2,3,4,5,6-pentafluorophenyl)bismuthane?
The InChIKey is IBPUURYQVFCBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6F5.Bi/c3*7-2-1-3(8)5(10)6(11)4(2)9;.
What are the key properties of tris(2,3,4,5,6-pentafluorophenyl)bismuthane?
tris(2,3,4,5,6-pentafluorophenyl)bismuthane has a molecular weight of 710.15 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,3,4,5,6-pentafluorophenyl)bismuthane is sourced from PubChem (CID 11072563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).