tris(triphenylphosphane);tetrafluoroborate

C54H45BF4P3- — CID 175134442

IUPACtris(triphenylphosphane);tetrafluoroborate
SMILESF[B-](F)(F)F.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15P.BF4/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5/h3*1-15H;/q;;;-1
InChIKeyRNNCCBOLMPBIKB-UHFFFAOYSA-N
MW873.68 g/mol
LogP11.63
Rot. Bonds9

About tris(triphenylphosphane);tetrafluoroborate

tris(triphenylphosphane);tetrafluoroborate (PubChem CID 175134442) has the molecular formula C54H45BF4P3- and a molecular weight of 873.68 g/mol. Its IUPAC name is tris(triphenylphosphane);tetrafluoroborate.

Molecular Properties

Compound Nametris(triphenylphosphane);tetrafluoroborate
PubChem CID175134442
Molecular FormulaC54H45BF4P3-
Molecular Weight873.68 g/mol
Exact Mass873.28
IUPAC Nametris(triphenylphosphane);tetrafluoroborate
SMILESF[B-](F)(F)F.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15P.BF4/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5/h3*1-15H;/q;;;-1
InChIKeyRNNCCBOLMPBIKB-UHFFFAOYSA-N
XLogP11.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.68
LogP ≤ 511.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

carbanide;gold;bis(gold(1+));tetrakis(triphenylphosphane);tetrafluoroborate
CID 134901648
triphenylphosphane
CID 139056248
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
tris(triphenylphosphane);hydrobromide
CID 172722268
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);trihydrochloride
CID 173282987
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
triphenylphosphane;yttrium
CID 139917776
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359
CID 87948921
CID 87948921

Frequently Asked Questions

What is the IUPAC name of tris(triphenylphosphane);tetrafluoroborate?
The IUPAC name of tris(triphenylphosphane);tetrafluoroborate (CID 175134442) is tris(triphenylphosphane);tetrafluoroborate.
What is the SMILES notation for tris(triphenylphosphane);tetrafluoroborate?
The canonical SMILES for tris(triphenylphosphane);tetrafluoroborate is F[B-](F)(F)F.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of tris(triphenylphosphane);tetrafluoroborate?
The InChIKey is RNNCCBOLMPBIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H15P.BF4/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5/h3*1-15H;/q;;;-1.
What are the key properties of tris(triphenylphosphane);tetrafluoroborate?
tris(triphenylphosphane);tetrafluoroborate has a molecular weight of 873.68 g/mol, XLogP of 11.63, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(triphenylphosphane);tetrafluoroborate is sourced from PubChem (CID 175134442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).