triphenyl(2,5,5-trimethylhexan-2-yl)phosphanium

C27H34P+ — CID 166960898

IUPACtriphenyl(2,5,5-trimethylhexan-2-yl)phosphanium
SMILESCC(C)(C)CCC(C)(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H34P/c1-26(2,3)21-22-27(4,5)28(23-15-9-6-10-16-23,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h6-20H,21-22H2,1-5H3/q+1
InChIKeyMJJQWEOLYNRQHU-UHFFFAOYSA-N
MW389.54 g/mol
LogP6.59
Rot. Bonds6

About triphenyl(2,5,5-trimethylhexan-2-yl)phosphanium

triphenyl(2,5,5-trimethylhexan-2-yl)phosphanium (PubChem CID 166960898) has the molecular formula C27H34P+ and a molecular weight of 389.54 g/mol. Its IUPAC name is triphenyl(2,5,5-trimethylhexan-2-yl)phosphanium.

Molecular Properties

Compound Nametriphenyl(2,5,5-trimethylhexan-2-yl)phosphanium
PubChem CID166960898
Molecular FormulaC27H34P+
Molecular Weight389.54 g/mol
Exact Mass389.24
IUPAC Nametriphenyl(2,5,5-trimethylhexan-2-yl)phosphanium
SMILESCC(C)(C)CCC(C)(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H34P/c1-26(2,3)21-22-27(4,5)28(23-15-9-6-10-16-23,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h6-20H,21-22H2,1-5H3/q+1
InChIKeyMJJQWEOLYNRQHU-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 56.59
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

triphenyl(2,4,4-trimethylhexan-2-yl)phosphanium
CID 144736397
3,3-dimethylbutyl(triphenyl)phosphanium bromide
CID 71363385
butyl-(4,4-dimethylpentyl)-diphenylphosphanium
CID 58520425
[(3R)-3,6,6-trimethyl-2,2-diphenylheptan-3-yl]benzene
CID 158981757
triphenyl(trichloromethyl)phosphanium
CID 23415418
[dibromo(triphenylphosphaniumyl)methyl]-triphenylphosphanium;dihydrobromide
CID 126956918
[2-methyl-3-triphenylphosphaniumyl-2-(triphenylphosphaniumylmethyl)propyl]-triphenylphosphanium
CID 101168782
tert-butyl-ethyl-diphenylphosphanium
CID 23415407
triphenyl(trifluoromethyl)phosphanium bromide
CID 175212392
boranuide;triphenyl(trityl)phosphanium
CID 173280182
5,5-dimethyl-2-phenylhexan-1-ol
CID 66060280
[(2S)-3-hydroxy-2,3-dimethylbutyl]-triphenylphosphanium fluoride
CID 87056097

Frequently Asked Questions

What is the IUPAC name of triphenyl(2,5,5-trimethylhexan-2-yl)phosphanium?
The IUPAC name of triphenyl(2,5,5-trimethylhexan-2-yl)phosphanium (CID 166960898) is triphenyl(2,5,5-trimethylhexan-2-yl)phosphanium.
What is the SMILES notation for triphenyl(2,5,5-trimethylhexan-2-yl)phosphanium?
The canonical SMILES for triphenyl(2,5,5-trimethylhexan-2-yl)phosphanium is CC(C)(C)CCC(C)(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenyl(2,5,5-trimethylhexan-2-yl)phosphanium?
The InChIKey is MJJQWEOLYNRQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34P/c1-26(2,3)21-22-27(4,5)28(23-15-9-6-10-16-23,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h6-20H,21-22H2,1-5H3/q+1.
What are the key properties of triphenyl(2,5,5-trimethylhexan-2-yl)phosphanium?
triphenyl(2,5,5-trimethylhexan-2-yl)phosphanium has a molecular weight of 389.54 g/mol, XLogP of 6.59, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(2,5,5-trimethylhexan-2-yl)phosphanium is sourced from PubChem (CID 166960898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).