[(3Z)-hepta-3,6-dienyl]-triphenylphosphanium

C25H26P+ — CID 10767190

IUPAC[(3Z)-hepta-3,6-dienyl]-triphenylphosphanium
SMILESC=CC/C=C\CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26P/c1-2-3-4-5-15-22-26(23-16-9-6-10-17-23,24-18-11-7-12-19-24)25-20-13-8-14-21-25/h2,4-14,16-21H,1,3,15,22H2/q+1/b5-4-
InChIKeyHAZGDVHVYVVNLF-PLNGDYQASA-N
MW357.46 g/mol
LogP5.50
Rot. Bonds8

About [(3Z)-hepta-3,6-dienyl]-triphenylphosphanium

[(3Z)-hepta-3,6-dienyl]-triphenylphosphanium (PubChem CID 10767190) has the molecular formula C25H26P+ and a molecular weight of 357.46 g/mol. Its IUPAC name is [(3Z)-hepta-3,6-dienyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(3Z)-hepta-3,6-dienyl]-triphenylphosphanium
PubChem CID10767190
Molecular FormulaC25H26P+
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name[(3Z)-hepta-3,6-dienyl]-triphenylphosphanium
SMILESC=CC/C=C\CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26P/c1-2-3-4-5-15-22-26(23-16-9-6-10-17-23,24-18-11-7-12-19-24)25-20-13-8-14-21-25/h2,4-14,16-21H,1,3,15,22H2/q+1/b5-4-
InChIKeyHAZGDVHVYVVNLF-PLNGDYQASA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 55.50
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)-hepta-3,6-dienyl]-triphenylphosphanium iodide
CID 10767189
[(3Z,6Z)-nona-3,6-dienyl]-triphenylphosphanium
CID 10099245
hex-3-enyl(triphenyl)phosphanium
CID 73026873
[(Z)-hex-3-enyl]-triphenylphosphanium
CID 10993587
[(6E,12E)-nonadeca-6,12,18-trienyl]-triphenylphosphanium
CID 101375603
triphenyl-[(E)-4-phenylbut-3-enyl]phosphanium
CID 15529550
triphenyl(undec-10-enyl)phosphanium
CID 3716115
[(3Z,6Z)-8,8,9,9,9-pentadeuterionona-3,6-dienyl]-triphenylphosphanium
CID 10437824
oct-7-enyl(triphenyl)phosphanium bromide
CID 22627871
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
triphenyl-[(E)-6,8,8-trimethylnon-3-enyl]phosphanium
CID 101160333

Frequently Asked Questions

What is the IUPAC name of [(3Z)-hepta-3,6-dienyl]-triphenylphosphanium?
The IUPAC name of [(3Z)-hepta-3,6-dienyl]-triphenylphosphanium (CID 10767190) is [(3Z)-hepta-3,6-dienyl]-triphenylphosphanium.
What is the SMILES notation for [(3Z)-hepta-3,6-dienyl]-triphenylphosphanium?
The canonical SMILES for [(3Z)-hepta-3,6-dienyl]-triphenylphosphanium is C=CC/C=C\CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(3Z)-hepta-3,6-dienyl]-triphenylphosphanium?
The InChIKey is HAZGDVHVYVVNLF-PLNGDYQASA-N. The full InChI is InChI=1S/C25H26P/c1-2-3-4-5-15-22-26(23-16-9-6-10-17-23,24-18-11-7-12-19-24)25-20-13-8-14-21-25/h2,4-14,16-21H,1,3,15,22H2/q+1/b5-4-.
What are the key properties of [(3Z)-hepta-3,6-dienyl]-triphenylphosphanium?
[(3Z)-hepta-3,6-dienyl]-triphenylphosphanium has a molecular weight of 357.46 g/mol, XLogP of 5.50, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-hepta-3,6-dienyl]-triphenylphosphanium is sourced from PubChem (CID 10767190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).