triphenyl(2,4,4-trimethylhexan-2-yl)phosphanium

C27H34P+ — CID 144736397

IUPACtriphenyl(2,4,4-trimethylhexan-2-yl)phosphanium
SMILESCCC(C)(C)CC(C)(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H34P/c1-6-26(2,3)22-27(4,5)28(23-16-10-7-11-17-23,24-18-12-8-13-19-24)25-20-14-9-15-21-25/h7-21H,6,22H2,1-5H3/q+1
InChIKeyGMYBPVSBNNJTNS-UHFFFAOYSA-N
MW389.54 g/mol
LogP6.59
Rot. Bonds7

About triphenyl(2,4,4-trimethylhexan-2-yl)phosphanium

triphenyl(2,4,4-trimethylhexan-2-yl)phosphanium (PubChem CID 144736397) has the molecular formula C27H34P+ and a molecular weight of 389.54 g/mol. Its IUPAC name is triphenyl(2,4,4-trimethylhexan-2-yl)phosphanium.

Molecular Properties

Compound Nametriphenyl(2,4,4-trimethylhexan-2-yl)phosphanium
PubChem CID144736397
Molecular FormulaC27H34P+
Molecular Weight389.54 g/mol
Exact Mass389.24
IUPAC Nametriphenyl(2,4,4-trimethylhexan-2-yl)phosphanium
SMILESCCC(C)(C)CC(C)(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H34P/c1-6-26(2,3)22-27(4,5)28(23-16-10-7-11-17-23,24-18-12-8-13-19-24)25-20-14-9-15-21-25/h7-21H,6,22H2,1-5H3/q+1
InChIKeyGMYBPVSBNNJTNS-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
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(2,5,5-trimethylhexan-2-yl)phosphanium
CID 166960898
(4,4-dimethyl-2-phenylhexan-2-yl)benzene
CID 59841354
ethoxy(triphenyl)phosphanium
CID 10092776
2,4,4-trimethylhexan-2-yloxymethylbenzene
CID 123305221
tert-butyl-ethyl-diphenylphosphanium
CID 23415407
azane;2,2-dimethylbutylbenzene
CID 175285583
ethoxy(triphenyl)phosphanium chloride
CID 154791752
ethoxy(triphenyl)phosphanium;hydrochloride
CID 175230805
1-phenoxy-4-(2,4,4-trimethylhexan-2-yl)benzene
CID 123620932
2-(2,4,4-trimethylhexan-2-ylcarbamoyl)benzoic acid
CID 171508539
(5,5-dimethyl-1-phenylheptyl)benzene
CID 57073199
triphenyl(trichloromethyl)phosphanium
CID 23415418

Frequently Asked Questions

What is the IUPAC name of triphenyl(2,4,4-trimethylhexan-2-yl)phosphanium?
The IUPAC name of triphenyl(2,4,4-trimethylhexan-2-yl)phosphanium (CID 144736397) is triphenyl(2,4,4-trimethylhexan-2-yl)phosphanium.
What is the SMILES notation for triphenyl(2,4,4-trimethylhexan-2-yl)phosphanium?
The canonical SMILES for triphenyl(2,4,4-trimethylhexan-2-yl)phosphanium is CCC(C)(C)CC(C)(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenyl(2,4,4-trimethylhexan-2-yl)phosphanium?
The InChIKey is GMYBPVSBNNJTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34P/c1-6-26(2,3)22-27(4,5)28(23-16-10-7-11-17-23,24-18-12-8-13-19-24)25-20-14-9-15-21-25/h7-21H,6,22H2,1-5H3/q+1.
What are the key properties of triphenyl(2,4,4-trimethylhexan-2-yl)phosphanium?
triphenyl(2,4,4-trimethylhexan-2-yl)phosphanium has a molecular weight of 389.54 g/mol, XLogP of 6.59, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(2,4,4-trimethylhexan-2-yl)phosphanium is sourced from PubChem (CID 144736397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).