[(6E,12E)-nonadeca-6,12,18-trienyl]-triphenylphosphanium

C37H48P+ — CID 101375603

IUPAC[(6E,12E)-nonadeca-6,12,18-trienyl]-triphenylphosphanium
SMILESC=CCCCC/C=C/CCCC/C=C/CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H48P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27-34-38(35-28-21-18-22-29-35,36-30-23-19-24-31-36)37-32-25-20-26-33-37/h2,7-8,13-14,18-26,28-33H,1,3-6,9-12,15-17,27,34H2/q+1/b8-7+,14-13+
InChIKeyCJQMEGIQTVVLQO-SCCLZRITSA-N
MW523.77 g/mol
LogP9.96
Rot. Bonds19

About [(6E,12E)-nonadeca-6,12,18-trienyl]-triphenylphosphanium

[(6E,12E)-nonadeca-6,12,18-trienyl]-triphenylphosphanium (PubChem CID 101375603) has the molecular formula C37H48P+ and a molecular weight of 523.77 g/mol. Its IUPAC name is [(6E,12E)-nonadeca-6,12,18-trienyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(6E,12E)-nonadeca-6,12,18-trienyl]-triphenylphosphanium
PubChem CID101375603
Molecular FormulaC37H48P+
Molecular Weight523.77 g/mol
Exact Mass523.35
IUPAC Name[(6E,12E)-nonadeca-6,12,18-trienyl]-triphenylphosphanium
SMILESC=CCCCC/C=C/CCCC/C=C/CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H48P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27-34-38(35-28-21-18-22-29-35,36-30-23-19-24-31-36)37-32-25-20-26-33-37/h2,7-8,13-14,18-26,28-33H,1,3-6,9-12,15-17,27,34H2/q+1/b8-7+,14-13+
InChIKeyCJQMEGIQTVVLQO-SCCLZRITSA-N
XLogP9.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.77
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

triphenyl(undec-10-enyl)phosphanium
CID 3716115
oct-7-enyl(triphenyl)phosphanium bromide
CID 22627871
triphenyl-[(Z)-tetradec-7-enyl]phosphanium
CID 42631990
[(12E,24E,36E,48E,60E)-hexahexaconta-12,24,36,48,60-pentaenyl]-triphenylphosphanium
CID 10796462
[(E)-pentadec-4-enyl]-triphenylphosphanium iodide
CID 10698794
[(E)-7-iodohept-6-enyl]-triphenylphosphanium bromide
CID 11092959
[(3Z)-hepta-3,6-dienyl]-triphenylphosphanium
CID 10767190
[(3Z)-hepta-3,6-dienyl]-triphenylphosphanium iodide
CID 10767189
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
deca-4,8-dienyl(triphenyl)phosphanium
CID 173274307
[(E)-23-(1,3-dioxolan-2-yl)tricos-12-enyl]-triphenylphosphanium
CID 10794749
[(1E)-dodeca-1,11-dienyl]-triphenylsilane
CID 135057523

Frequently Asked Questions

What is the IUPAC name of [(6E,12E)-nonadeca-6,12,18-trienyl]-triphenylphosphanium?
The IUPAC name of [(6E,12E)-nonadeca-6,12,18-trienyl]-triphenylphosphanium (CID 101375603) is [(6E,12E)-nonadeca-6,12,18-trienyl]-triphenylphosphanium.
What is the SMILES notation for [(6E,12E)-nonadeca-6,12,18-trienyl]-triphenylphosphanium?
The canonical SMILES for [(6E,12E)-nonadeca-6,12,18-trienyl]-triphenylphosphanium is C=CCCCC/C=C/CCCC/C=C/CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(6E,12E)-nonadeca-6,12,18-trienyl]-triphenylphosphanium?
The InChIKey is CJQMEGIQTVVLQO-SCCLZRITSA-N. The full InChI is InChI=1S/C37H48P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27-34-38(35-28-21-18-22-29-35,36-30-23-19-24-31-36)37-32-25-20-26-33-37/h2,7-8,13-14,18-26,28-33H,1,3-6,9-12,15-17,27,34H2/q+1/b8-7+,14-13+.
What are the key properties of [(6E,12E)-nonadeca-6,12,18-trienyl]-triphenylphosphanium?
[(6E,12E)-nonadeca-6,12,18-trienyl]-triphenylphosphanium has a molecular weight of 523.77 g/mol, XLogP of 9.96, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(6E,12E)-nonadeca-6,12,18-trienyl]-triphenylphosphanium is sourced from PubChem (CID 101375603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).