tributyl(trityl)phosphanium fluoride

C31H42FP — CID 18356165

IUPACtributyl(trityl)phosphanium fluoride
SMILESCCCC[P+](CCCC)(CCCC)C(c1ccccc1)(c1ccccc1)c1ccccc1.[F-]
InChIInChI=1S/C31H42P.FH/c1-4-7-25-32(26-8-5-2,27-9-6-3)31(28-19-13-10-14-20-28,29-21-15-11-16-22-29)30-23-17-12-18-24-30;/h10-24H,4-9,25-27H2,1-3H3;1H/q+1;/p-1
InChIKeyIJYXOCHWXBFBSF-UHFFFAOYSA-M
MW464.65 g/mol
LogP6.40
Rot. Bonds13

About tributyl(trityl)phosphanium fluoride

tributyl(trityl)phosphanium fluoride (PubChem CID 18356165) has the molecular formula C31H42FP and a molecular weight of 464.65 g/mol. Its IUPAC name is tributyl(trityl)phosphanium fluoride.

Molecular Properties

Compound Nametributyl(trityl)phosphanium fluoride
PubChem CID18356165
Molecular FormulaC31H42FP
Molecular Weight464.65 g/mol
Exact Mass464.30
IUPAC Nametributyl(trityl)phosphanium fluoride
SMILESCCCC[P+](CCCC)(CCCC)C(c1ccccc1)(c1ccccc1)c1ccccc1.[F-]
InChIInChI=1S/C31H42P.FH/c1-4-7-25-32(26-8-5-2,27-9-6-3)31(28-19-13-10-14-20-28,29-21-15-11-16-22-29)30-23-17-12-18-24-30;/h10-24H,4-9,25-27H2,1-3H3;1H/q+1;/p-1
InChIKeyIJYXOCHWXBFBSF-UHFFFAOYSA-M
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.65
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

triethyl(trityl)phosphanium
CID 18355930
1,1,1-triphenylhexan-2-amine
CID 164823082
(2-butyl-1,1-diphenyldecyl)benzene
CID 150177254
tert-butylbenzene;hexane
CID 175254424
(3-ethyl-3-phenyloctan-4-yl)azanium hydroxide
CID 21316151
trimethyl(trityl)phosphanium fluoride
CID 18356035
[3-tert-butyl-2-(3-tert-butyl-2-phenylheptan-2-yl)peroxyheptan-2-yl]benzene
CID 141102212
(3-methyl-2-phenyloctan-2-yl)benzene
CID 174435866
3-N,3-N-diethyl-2-phenylheptane-2,3-diamine
CID 43829678
2,2,4-trimethyloctan-3-ylbenzene
CID 151316851
10-phenyltetradecan-5-ylbenzene
CID 22891787
(1S)-1-phenylpentan-1-ol
CID 6992754

Frequently Asked Questions

What is the IUPAC name of tributyl(trityl)phosphanium fluoride?
The IUPAC name of tributyl(trityl)phosphanium fluoride (CID 18356165) is tributyl(trityl)phosphanium fluoride.
What is the SMILES notation for tributyl(trityl)phosphanium fluoride?
The canonical SMILES for tributyl(trityl)phosphanium fluoride is CCCC[P+](CCCC)(CCCC)C(c1ccccc1)(c1ccccc1)c1ccccc1.[F-].
What is the InChIKey of tributyl(trityl)phosphanium fluoride?
The InChIKey is IJYXOCHWXBFBSF-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H42P.FH/c1-4-7-25-32(26-8-5-2,27-9-6-3)31(28-19-13-10-14-20-28,29-21-15-11-16-22-29)30-23-17-12-18-24-30;/h10-24H,4-9,25-27H2,1-3H3;1H/q+1;/p-1.
What are the key properties of tributyl(trityl)phosphanium fluoride?
tributyl(trityl)phosphanium fluoride has a molecular weight of 464.65 g/mol, XLogP of 6.40, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(trityl)phosphanium fluoride is sourced from PubChem (CID 18356165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).