bis(ditert-butyl-[[2-(ditert-butylphosphaniumylmethyl)phenyl]methyl]phosphanium);tetratetrafluoroborate

C48H92B4F16P4 — CID 139043254

IUPACbis(ditert-butyl-[[2-(ditert-butylphosphaniumylmethyl)phenyl]methyl]phosphanium);tetratetrafluoroborate
SMILESCC(C)(C)[PH+](Cc1ccccc1C[PH+](C(C)(C)C)C(C)(C)C)C(C)(C)C.CC(C)(C)[PH+](Cc1ccccc1C[PH+](C(C)(C)C)C(C)(C)C)C(C)(C)C.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F
InChIInChI=1S/2C24H44P2.4BF4/c2*1-21(2,3)25(22(4,5)6)17-19-15-13-14-16-20(19)18-26(23(7,8)9)24(10,11)12;4*2-1(3,4)5/h2*13-16H,17-18H2,1-12H3;;;;/q;;4*-1/p+4
InChIKeyULLSVSAUVJGJFT-UHFFFAOYSA-R
MW1140.38 g/mol
LogP21.82
Rot. Bonds8

About bis(ditert-butyl-[[2-(ditert-butylphosphaniumylmethyl)phenyl]methyl]phosphanium);tetratetrafluoroborate

bis(ditert-butyl-[[2-(ditert-butylphosphaniumylmethyl)phenyl]methyl]phosphanium);tetratetrafluoroborate (PubChem CID 139043254) has the molecular formula C48H92B4F16P4 and a molecular weight of 1140.38 g/mol. Its IUPAC name is bis(ditert-butyl-[[2-(ditert-butylphosphaniumylmethyl)phenyl]methyl]phosphanium);tetratetrafluoroborate.

Molecular Properties

Compound Namebis(ditert-butyl-[[2-(ditert-butylphosphaniumylmethyl)phenyl]methyl]phosphanium);tetratetrafluoroborate
PubChem CID139043254
Molecular FormulaC48H92B4F16P4
Molecular Weight1140.38 g/mol
Exact Mass1140.63
IUPAC Namebis(ditert-butyl-[[2-(ditert-butylphosphaniumylmethyl)phenyl]methyl]phosphanium);tetratetrafluoroborate
SMILESCC(C)(C)[PH+](Cc1ccccc1C[PH+](C(C)(C)C)C(C)(C)C)C(C)(C)C.CC(C)(C)[PH+](Cc1ccccc1C[PH+](C(C)(C)C)C(C)(C)C)C(C)(C)C.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F
InChIInChI=1S/2C24H44P2.4BF4/c2*1-21(2,3)25(22(4,5)6)17-19-15-13-14-16-20(19)18-26(23(7,8)9)24(10,11)12;4*2-1(3,4)5/h2*13-16H,17-18H2,1-12H3;;;;/q;;4*-1/p+4
InChIKeyULLSVSAUVJGJFT-UHFFFAOYSA-R
XLogP21.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001140.38
LogP ≤ 521.82
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

ditert-butyl(phenyl)phosphanium tetrafluoroborate
CID 11220595
azane;ditert-butyl-[[3-(ditert-butylphosphaniumylmethyl)benzene-2-id-1-yl]methyl]phosphanium;iridium
CID 6394919
ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
CID 145008249
2-(bromomethyl)-N-tert-butylbenzamide
CID 82110404
CID 123229942
CID 123229942
1-bromo-2-(2,2-difluoropropyl)benzene
CID 84698254
[2-(2-fluoro-2-methylpropyl)phenyl]methanamine
CID 84658124
hydron;triphenylphosphanium;ditetrafluoroborate
CID 173429436
1-(2,2-dimethylpropyl)-2-methylbenzene
CID 21464495
fluoromethyl-(4-methylphenyl)-phenylsulfanium;2-methylpropane;tetrafluoroborate
CID 162185007
1-tert-butyl-3-ethyl-4-phenylpyrrole
CID 15420918
ditert-butyl-[2-(3-fluoropropyl)phenyl]alumane
CID 19904968

Frequently Asked Questions

What is the IUPAC name of bis(ditert-butyl-[[2-(ditert-butylphosphaniumylmethyl)phenyl]methyl]phosphanium);tetratetrafluoroborate?
The IUPAC name of bis(ditert-butyl-[[2-(ditert-butylphosphaniumylmethyl)phenyl]methyl]phosphanium);tetratetrafluoroborate (CID 139043254) is bis(ditert-butyl-[[2-(ditert-butylphosphaniumylmethyl)phenyl]methyl]phosphanium);tetratetrafluoroborate.
What is the SMILES notation for bis(ditert-butyl-[[2-(ditert-butylphosphaniumylmethyl)phenyl]methyl]phosphanium);tetratetrafluoroborate?
The canonical SMILES for bis(ditert-butyl-[[2-(ditert-butylphosphaniumylmethyl)phenyl]methyl]phosphanium);tetratetrafluoroborate is CC(C)(C)[PH+](Cc1ccccc1C[PH+](C(C)(C)C)C(C)(C)C)C(C)(C)C.CC(C)(C)[PH+](Cc1ccccc1C[PH+](C(C)(C)C)C(C)(C)C)C(C)(C)C.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.
What is the InChIKey of bis(ditert-butyl-[[2-(ditert-butylphosphaniumylmethyl)phenyl]methyl]phosphanium);tetratetrafluoroborate?
The InChIKey is ULLSVSAUVJGJFT-UHFFFAOYSA-R. The full InChI is InChI=1S/2C24H44P2.4BF4/c2*1-21(2,3)25(22(4,5)6)17-19-15-13-14-16-20(19)18-26(23(7,8)9)24(10,11)12;4*2-1(3,4)5/h2*13-16H,17-18H2,1-12H3;;;;/q;;4*-1/p+4.
What are the key properties of bis(ditert-butyl-[[2-(ditert-butylphosphaniumylmethyl)phenyl]methyl]phosphanium);tetratetrafluoroborate?
bis(ditert-butyl-[[2-(ditert-butylphosphaniumylmethyl)phenyl]methyl]phosphanium);tetratetrafluoroborate has a molecular weight of 1140.38 g/mol, XLogP of 21.82, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ditert-butyl-[[2-(ditert-butylphosphaniumylmethyl)phenyl]methyl]phosphanium);tetratetrafluoroborate is sourced from PubChem (CID 139043254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).