boric acid;triphenylphosphane

C18H48B11O33P — CID 173323232

IUPACboric acid;triphenylphosphane
SMILESOB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.11BH3O3/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;11*2-1(3)4/h1-15H;11*2-4H
InChIKeyDJAWQLGMOMLSHI-UHFFFAOYSA-N
MW942.46 g/mol
LogP-19.12
Rot. Bonds3

About boric acid;triphenylphosphane

boric acid;triphenylphosphane (PubChem CID 173323232) has the molecular formula C18H48B11O33P and a molecular weight of 942.46 g/mol. Its IUPAC name is boric acid;triphenylphosphane.

Molecular Properties

Compound Nameboric acid;triphenylphosphane
PubChem CID173323232
Molecular FormulaC18H48B11O33P
Molecular Weight942.46 g/mol
Exact Mass944.28
IUPAC Nameboric acid;triphenylphosphane
SMILESOB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.11BH3O3/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;11*2-1(3)4/h1-15H;11*2-4H
InChIKeyDJAWQLGMOMLSHI-UHFFFAOYSA-N
XLogP-19.12
TPSA667.59 Ų
H-Bond Donors33
H-Bond Acceptors33
Rotatable Bonds3
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500942.46
LogP ≤ 5-19.12
H-Bond Donors ≤ 533
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

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Related Compounds

triphenylphosphane
CID 139056248
boric acid;tetrakis(1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene);tris(triphenylphosphane)
CID 172844623
nickel;tetrakis(triphenylphosphane)
CID 161328494
platinum;triphenylphosphane
CID 159264630
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);hydrobromide
CID 172722268
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

Frequently Asked Questions

What is the IUPAC name of boric acid;triphenylphosphane?
The IUPAC name of boric acid;triphenylphosphane (CID 173323232) is boric acid;triphenylphosphane.
What is the SMILES notation for boric acid;triphenylphosphane?
The canonical SMILES for boric acid;triphenylphosphane is OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of boric acid;triphenylphosphane?
The InChIKey is DJAWQLGMOMLSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.11BH3O3/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;11*2-1(3)4/h1-15H;11*2-4H.
What are the key properties of boric acid;triphenylphosphane?
boric acid;triphenylphosphane has a molecular weight of 942.46 g/mol, XLogP of -19.12, 3 rotatable bonds, 33 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;triphenylphosphane is sourced from PubChem (CID 173323232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).