4-ethyl-7,8-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium hexafluorophosphate

C25H28F6P2 — CID 134976511

IUPAC4-ethyl-7,8-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium hexafluorophosphate
SMILESCCC1C[P+](c2ccccc2)(c2ccccc2)Cc2c1ccc(C)c2C.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C25H28P.F6P/c1-4-21-17-26(22-11-7-5-8-12-22,23-13-9-6-10-14-23)18-25-20(3)19(2)15-16-24(21)25;1-7(2,3,4,5)6/h5-16,21H,4,17-18H2,1-3H3;/q+1;-1
InChIKeyDRGORFYPSGDKTJ-UHFFFAOYSA-N
MW504.44 g/mol
LogP9.36
Rot. Bonds3

About 4-ethyl-7,8-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium hexafluorophosphate

4-ethyl-7,8-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium hexafluorophosphate (PubChem CID 134976511) has the molecular formula C25H28F6P2 and a molecular weight of 504.44 g/mol. Its IUPAC name is 4-ethyl-7,8-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium hexafluorophosphate.

Molecular Properties

Compound Name4-ethyl-7,8-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium hexafluorophosphate
PubChem CID134976511
Molecular FormulaC25H28F6P2
Molecular Weight504.44 g/mol
Exact Mass504.16
IUPAC Name4-ethyl-7,8-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium hexafluorophosphate
SMILESCCC1C[P+](c2ccccc2)(c2ccccc2)Cc2c1ccc(C)c2C.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C25H28P.F6P/c1-4-21-17-26(22-11-7-5-8-12-22,23-13-9-6-10-14-23)18-25-20(3)19(2)15-16-24(21)25;1-7(2,3,4,5)6/h5-16,21H,4,17-18H2,1-3H3;/q+1;-1
InChIKeyDRGORFYPSGDKTJ-UHFFFAOYSA-N
XLogP9.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.44
LogP ≤ 59.36
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

4-ethyl-7-methyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium
CID 134985357
3,4,8-trimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium hexafluorophosphate
CID 134984199
4-ethyl-8-methyl-1,2,3,4-tetrahydroisoquinoline
CID 115063778
3,4-dimethyl-1,1-diphenyl-2,5-dihydrophosphol-1-ium
CID 10935558
(3S)-3-ethyl-8-methyl-2,3-dihydro-1H-cyclopenta[a]chrysene
CID 162936310
(1S)-1-ethyl-3,3-dimethyl-1,2-dihydroindene
CID 149388783
ethyl(triphenyl)phosphanium hexafluorophosphate
CID 22677091
benzene;1,2,3-trimethylbenzene
CID 159605245
1-[2-(chloromethyl)cyclopropyl]-2,3-dimethylbenzene
CID 81357781
difluoro(1-phenylpropyl)silane
CID 173017282
azane;trimethyl(phenyl)azanium;hexafluorophosphate
CID 175267450
(6,7-dimethyl-2,3-dihydro-1H-indol-3-yl)methanamine
CID 83860250

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7,8-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium hexafluorophosphate?
The IUPAC name of 4-ethyl-7,8-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium hexafluorophosphate (CID 134976511) is 4-ethyl-7,8-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium hexafluorophosphate.
What is the SMILES notation for 4-ethyl-7,8-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium hexafluorophosphate?
The canonical SMILES for 4-ethyl-7,8-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium hexafluorophosphate is CCC1C[P+](c2ccccc2)(c2ccccc2)Cc2c1ccc(C)c2C.F[P-](F)(F)(F)(F)F.
What is the InChIKey of 4-ethyl-7,8-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium hexafluorophosphate?
The InChIKey is DRGORFYPSGDKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28P.F6P/c1-4-21-17-26(22-11-7-5-8-12-22,23-13-9-6-10-14-23)18-25-20(3)19(2)15-16-24(21)25;1-7(2,3,4,5)6/h5-16,21H,4,17-18H2,1-3H3;/q+1;-1.
What are the key properties of 4-ethyl-7,8-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium hexafluorophosphate?
4-ethyl-7,8-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium hexafluorophosphate has a molecular weight of 504.44 g/mol, XLogP of 9.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7,8-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium hexafluorophosphate is sourced from PubChem (CID 134976511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).