2,3,4-tritert-butyl-1,1-diphenyltetraphosphetan-1-ium

C24H37P4+ — CID 102109459

IUPAC2,3,4-tritert-butyl-1,1-diphenyltetraphosphetan-1-ium
SMILESCC(C)(C)P1P(C(C)(C)C)[P+](c2ccccc2)(c2ccccc2)P1C(C)(C)C
InChIInChI=1S/C24H37P4/c1-22(2,3)25-26(23(4,5)6)28(27(25)24(7,8)9,20-16-12-10-13-17-20)21-18-14-11-15-19-21/h10-19H,1-9H3/q+1
InChIKeyBMUFHYONMWBYFB-UHFFFAOYSA-N
MW449.46 g/mol
LogP9.17
Rot. Bonds2

About 2,3,4-tritert-butyl-1,1-diphenyltetraphosphetan-1-ium

2,3,4-tritert-butyl-1,1-diphenyltetraphosphetan-1-ium (PubChem CID 102109459) has the molecular formula C24H37P4+ and a molecular weight of 449.46 g/mol. Its IUPAC name is 2,3,4-tritert-butyl-1,1-diphenyltetraphosphetan-1-ium.

Molecular Properties

Compound Name2,3,4-tritert-butyl-1,1-diphenyltetraphosphetan-1-ium
PubChem CID102109459
Molecular FormulaC24H37P4+
Molecular Weight449.46 g/mol
Exact Mass449.18
IUPAC Name2,3,4-tritert-butyl-1,1-diphenyltetraphosphetan-1-ium
SMILESCC(C)(C)P1P(C(C)(C)C)[P+](c2ccccc2)(c2ccccc2)P1C(C)(C)C
InChIInChI=1S/C24H37P4/c1-22(2,3)25-26(23(4,5)6)28(27(25)24(7,8)9,20-16-12-10-13-17-20)21-18-14-11-15-19-21/h10-19H,1-9H3/q+1
InChIKeyBMUFHYONMWBYFB-UHFFFAOYSA-N
XLogP9.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.46
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-1,2,3,4,5-pentakis-phenylpentaphospholan-1-ium
CID 102321379
2,2-dimethylpropane;diphenylmethanone
CID 159191976
1-[2,2-dimethylpropanoyl(phenyl)arsanyl]-2,2-dimethylpropan-1-one
CID 12633123
2-bromo-1-phenyl-2-sulfanylpropan-1-one
CID 23463078
(2S)-2-hydroxy-2-phenylpropanoate
CID 6932633
7,7-diphenyl-3,5-diselena-1,2,4,6-tetraphospha-7-phosphoniatricyclo[2.2.1.02,6]heptane
CID 102104668
(1-tert-butyl-3,4-dimethylphosphol-1-ium-1-yl)-phenylmethanone
CID 6397529
phenyl(2-sulfanylpropan-2-yl)phosphinic acid
CID 785432
1-ditert-butylphosphanyl-N-methyl-1-phenylmethanimine
CID 159340779
benzoic acid;methanol
CID 67901482
tert-butyl benzoate
CID 135038599
lithium;tert-butylbenzene;hydride;sulfuric acid
CID 173469295

Frequently Asked Questions

What is the IUPAC name of 2,3,4-tritert-butyl-1,1-diphenyltetraphosphetan-1-ium?
The IUPAC name of 2,3,4-tritert-butyl-1,1-diphenyltetraphosphetan-1-ium (CID 102109459) is 2,3,4-tritert-butyl-1,1-diphenyltetraphosphetan-1-ium.
What is the SMILES notation for 2,3,4-tritert-butyl-1,1-diphenyltetraphosphetan-1-ium?
The canonical SMILES for 2,3,4-tritert-butyl-1,1-diphenyltetraphosphetan-1-ium is CC(C)(C)P1P(C(C)(C)C)[P+](c2ccccc2)(c2ccccc2)P1C(C)(C)C.
What is the InChIKey of 2,3,4-tritert-butyl-1,1-diphenyltetraphosphetan-1-ium?
The InChIKey is BMUFHYONMWBYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37P4/c1-22(2,3)25-26(23(4,5)6)28(27(25)24(7,8)9,20-16-12-10-13-17-20)21-18-14-11-15-19-21/h10-19H,1-9H3/q+1.
What are the key properties of 2,3,4-tritert-butyl-1,1-diphenyltetraphosphetan-1-ium?
2,3,4-tritert-butyl-1,1-diphenyltetraphosphetan-1-ium has a molecular weight of 449.46 g/mol, XLogP of 9.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tritert-butyl-1,1-diphenyltetraphosphetan-1-ium is sourced from PubChem (CID 102109459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).