3,4,8-trimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium hexafluorophosphate

C24H26F6P2 — CID 134984199

IUPAC3,4,8-trimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium hexafluorophosphate
SMILESCc1cccc2c1C[P+](c1ccccc1)(c1ccccc1)C(C)C2C.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C24H26P.F6P/c1-18-11-10-16-23-19(2)20(3)25(17-24(18)23,21-12-6-4-7-13-21)22-14-8-5-9-15-22;1-7(2,3,4,5)6/h4-16,19-20H,17H2,1-3H3;/q+1;-1
InChIKeyJEFFJXKUEBKWMW-UHFFFAOYSA-N
MW490.41 g/mol
LogP9.05
Rot. Bonds2

About 3,4,8-trimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium hexafluorophosphate

3,4,8-trimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium hexafluorophosphate (PubChem CID 134984199) has the molecular formula C24H26F6P2 and a molecular weight of 490.41 g/mol. Its IUPAC name is 3,4,8-trimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium hexafluorophosphate.

Molecular Properties

Compound Name3,4,8-trimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium hexafluorophosphate
PubChem CID134984199
Molecular FormulaC24H26F6P2
Molecular Weight490.41 g/mol
Exact Mass490.14
IUPAC Name3,4,8-trimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium hexafluorophosphate
SMILESCc1cccc2c1C[P+](c1ccccc1)(c1ccccc1)C(C)C2C.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C24H26P.F6P/c1-18-11-10-16-23-19(2)20(3)25(17-24(18)23,21-12-6-4-7-13-21)22-14-8-5-9-15-22;1-7(2,3,4,5)6/h4-16,19-20H,17H2,1-3H3;/q+1;-1
InChIKeyJEFFJXKUEBKWMW-UHFFFAOYSA-N
XLogP9.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.41
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,8-trimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium hexafluorophosphate?
The IUPAC name of 3,4,8-trimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium hexafluorophosphate (CID 134984199) is 3,4,8-trimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium hexafluorophosphate.
What is the SMILES notation for 3,4,8-trimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium hexafluorophosphate?
The canonical SMILES for 3,4,8-trimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium hexafluorophosphate is Cc1cccc2c1C[P+](c1ccccc1)(c1ccccc1)C(C)C2C.F[P-](F)(F)(F)(F)F.
What is the InChIKey of 3,4,8-trimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium hexafluorophosphate?
The InChIKey is JEFFJXKUEBKWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26P.F6P/c1-18-11-10-16-23-19(2)20(3)25(17-24(18)23,21-12-6-4-7-13-21)22-14-8-5-9-15-22;1-7(2,3,4,5)6/h4-16,19-20H,17H2,1-3H3;/q+1;-1.
What are the key properties of 3,4,8-trimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium hexafluorophosphate?
3,4,8-trimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium hexafluorophosphate has a molecular weight of 490.41 g/mol, XLogP of 9.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,8-trimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium hexafluorophosphate is sourced from PubChem (CID 134984199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).