triphenyl(1-phenylpropan-2-yloxy)phosphanium tetrafluoroborate

C27H26BF4OP — CID 10074044

IUPACtriphenyl(1-phenylpropan-2-yloxy)phosphanium tetrafluoroborate
SMILESCC(Cc1ccccc1)O[P+](c1ccccc1)(c1ccccc1)c1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C27H26OP.BF4/c1-23(22-24-14-6-2-7-15-24)28-29(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27;2-1(3,4)5/h2-21,23H,22H2,1H3;/q+1;-1
InChIKeyATCFYBGSRIEUER-UHFFFAOYSA-N
MW484.28 g/mol
LogP6.84
Rot. Bonds7

About triphenyl(1-phenylpropan-2-yloxy)phosphanium tetrafluoroborate

triphenyl(1-phenylpropan-2-yloxy)phosphanium tetrafluoroborate (PubChem CID 10074044) has the molecular formula C27H26BF4OP and a molecular weight of 484.28 g/mol. Its IUPAC name is triphenyl(1-phenylpropan-2-yloxy)phosphanium tetrafluoroborate.

Molecular Properties

Compound Nametriphenyl(1-phenylpropan-2-yloxy)phosphanium tetrafluoroborate
PubChem CID10074044
Molecular FormulaC27H26BF4OP
Molecular Weight484.28 g/mol
Exact Mass484.18
IUPAC Nametriphenyl(1-phenylpropan-2-yloxy)phosphanium tetrafluoroborate
SMILESCC(Cc1ccccc1)O[P+](c1ccccc1)(c1ccccc1)c1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C27H26OP.BF4/c1-23(22-24-14-6-2-7-15-24)28-29(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27;2-1(3,4)5/h2-21,23H,22H2,1H3;/q+1;-1
InChIKeyATCFYBGSRIEUER-UHFFFAOYSA-N
XLogP6.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.28
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

diphenyl(1-phenylpropan-2-yloxy)phosphane
CID 86075511
benzyl-bis(dimethylamino)-phenylphosphanium tetrafluoroborate
CID 56841389
2,3-dimethylbutylbenzene
CID 12054035
(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
[(2S,3S)-3-methoxy-2-methylbutyl]benzene
CID 166437023
ethane;2-methylpropylbenzene
CID 162200929
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354
2-(methoxymethoxy)propylbenzene
CID 11367357
(3-methyl-2-propan-2-yloxybutyl)benzene
CID 3839106
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
(2-benzyl-3-methylbutyl)benzene
CID 22277918
(2-methyl-3-phenylpropanoyl) 2-methyl-3-phenylpropanoate
CID 170643388

Frequently Asked Questions

What is the IUPAC name of triphenyl(1-phenylpropan-2-yloxy)phosphanium tetrafluoroborate?
The IUPAC name of triphenyl(1-phenylpropan-2-yloxy)phosphanium tetrafluoroborate (CID 10074044) is triphenyl(1-phenylpropan-2-yloxy)phosphanium tetrafluoroborate.
What is the SMILES notation for triphenyl(1-phenylpropan-2-yloxy)phosphanium tetrafluoroborate?
The canonical SMILES for triphenyl(1-phenylpropan-2-yloxy)phosphanium tetrafluoroborate is CC(Cc1ccccc1)O[P+](c1ccccc1)(c1ccccc1)c1ccccc1.F[B-](F)(F)F.
What is the InChIKey of triphenyl(1-phenylpropan-2-yloxy)phosphanium tetrafluoroborate?
The InChIKey is ATCFYBGSRIEUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26OP.BF4/c1-23(22-24-14-6-2-7-15-24)28-29(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27;2-1(3,4)5/h2-21,23H,22H2,1H3;/q+1;-1.
What are the key properties of triphenyl(1-phenylpropan-2-yloxy)phosphanium tetrafluoroborate?
triphenyl(1-phenylpropan-2-yloxy)phosphanium tetrafluoroborate has a molecular weight of 484.28 g/mol, XLogP of 6.84, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(1-phenylpropan-2-yloxy)phosphanium tetrafluoroborate is sourced from PubChem (CID 10074044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).