[(3Z,6Z)-8,8,9,9,9-pentadeuterionona-3,6-dienyl]-triphenylphosphanium

C27H30P+ — CID 10437824

IUPAC[(3Z,6Z)-8,8,9,9,9-pentadeuterionona-3,6-dienyl]-triphenylphosphanium
SMILES[2H]C([2H])([2H])C([2H])([2H])/C=C\C/C=C\CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30P/c1-2-3-4-5-6-7-17-24-28(25-18-11-8-12-19-25,26-20-13-9-14-21-26)27-22-15-10-16-23-27/h3-4,6-16,18-23H,2,5,17,24H2,1H3/q+1/b4-3-,7-6-/i1D3,2D2
InChIKeySKENQZSQJLWFGR-XAKJDLIPSA-N
MW390.54 g/mol
LogP6.28
Rot. Bonds10

About [(3Z,6Z)-8,8,9,9,9-pentadeuterionona-3,6-dienyl]-triphenylphosphanium

[(3Z,6Z)-8,8,9,9,9-pentadeuterionona-3,6-dienyl]-triphenylphosphanium (PubChem CID 10437824) has the molecular formula C27H30P+ and a molecular weight of 390.54 g/mol. Its IUPAC name is [(3Z,6Z)-8,8,9,9,9-pentadeuterionona-3,6-dienyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(3Z,6Z)-8,8,9,9,9-pentadeuterionona-3,6-dienyl]-triphenylphosphanium
PubChem CID10437824
Molecular FormulaC27H30P+
Molecular Weight390.54 g/mol
Exact Mass390.24
IUPAC Name[(3Z,6Z)-8,8,9,9,9-pentadeuterionona-3,6-dienyl]-triphenylphosphanium
SMILES[2H]C([2H])([2H])C([2H])([2H])/C=C\C/C=C\CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30P/c1-2-3-4-5-6-7-17-24-28(25-18-11-8-12-19-25,26-20-13-9-14-21-26)27-22-15-10-16-23-27/h3-4,6-16,18-23H,2,5,17,24H2,1H3/q+1/b4-3-,7-6-/i1D3,2D2
InChIKeySKENQZSQJLWFGR-XAKJDLIPSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.54
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(3Z,6Z)-nona-3,6-dienyl]-triphenylphosphanium
CID 10099245
hex-3-enyl(triphenyl)phosphanium
CID 73026873
[(Z)-hex-3-enyl]-triphenylphosphanium
CID 10993587
[(3Z)-hepta-3,6-dienyl]-triphenylphosphanium
CID 10767190
[(3Z)-hepta-3,6-dienyl]-triphenylphosphanium iodide
CID 10767189
triphenyl-[(E)-4-phenylbut-3-enyl]phosphanium
CID 15529550
triphenyl-[(E)-6,8,8-trimethylnon-3-enyl]phosphanium
CID 101160333
1,1,2,2,2-pentadeuterioethyl(triphenyl)phosphanium
CID 71316676
[(12E,24E,36E,48E,60E)-hexahexaconta-12,24,36,48,60-pentaenyl]-triphenylphosphanium
CID 10796462
triphenyl-[(Z)-tetradec-7-enyl]phosphanium
CID 42631990
deca-4,8-dienyl(triphenyl)phosphanium
CID 173274307
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696

Frequently Asked Questions

What is the IUPAC name of [(3Z,6Z)-8,8,9,9,9-pentadeuterionona-3,6-dienyl]-triphenylphosphanium?
The IUPAC name of [(3Z,6Z)-8,8,9,9,9-pentadeuterionona-3,6-dienyl]-triphenylphosphanium (CID 10437824) is [(3Z,6Z)-8,8,9,9,9-pentadeuterionona-3,6-dienyl]-triphenylphosphanium.
What is the SMILES notation for [(3Z,6Z)-8,8,9,9,9-pentadeuterionona-3,6-dienyl]-triphenylphosphanium?
The canonical SMILES for [(3Z,6Z)-8,8,9,9,9-pentadeuterionona-3,6-dienyl]-triphenylphosphanium is [2H]C([2H])([2H])C([2H])([2H])/C=C\C/C=C\CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(3Z,6Z)-8,8,9,9,9-pentadeuterionona-3,6-dienyl]-triphenylphosphanium?
The InChIKey is SKENQZSQJLWFGR-XAKJDLIPSA-N. The full InChI is InChI=1S/C27H30P/c1-2-3-4-5-6-7-17-24-28(25-18-11-8-12-19-25,26-20-13-9-14-21-26)27-22-15-10-16-23-27/h3-4,6-16,18-23H,2,5,17,24H2,1H3/q+1/b4-3-,7-6-/i1D3,2D2.
What are the key properties of [(3Z,6Z)-8,8,9,9,9-pentadeuterionona-3,6-dienyl]-triphenylphosphanium?
[(3Z,6Z)-8,8,9,9,9-pentadeuterionona-3,6-dienyl]-triphenylphosphanium has a molecular weight of 390.54 g/mol, XLogP of 6.28, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z,6Z)-8,8,9,9,9-pentadeuterionona-3,6-dienyl]-triphenylphosphanium is sourced from PubChem (CID 10437824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).