triphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium

C28H26P+ — CID 11283206

IUPACtriphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium
SMILESC(=C\C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)\Cc1ccccc1
InChIInChI=1S/C28H26P/c1-5-15-25(16-6-1)17-13-14-24-29(26-18-7-2-8-19-26,27-20-9-3-10-21-27)28-22-11-4-12-23-28/h1-16,18-23H,17,24H2/q+1/b14-13-
InChIKeyGBBQASWZEHSKQM-YPKPFQOOSA-N
MW393.49 g/mol
LogP5.78
Rot. Bonds7

About triphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium

triphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium (PubChem CID 11283206) has the molecular formula C28H26P+ and a molecular weight of 393.49 g/mol. Its IUPAC name is triphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium.

Molecular Properties

Compound Nametriphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium
PubChem CID11283206
Molecular FormulaC28H26P+
Molecular Weight393.49 g/mol
Exact Mass393.18
IUPAC Nametriphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium
SMILESC(=C\C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)\Cc1ccccc1
InChIInChI=1S/C28H26P/c1-5-15-25(16-6-1)17-13-14-24-29(26-18-7-2-8-19-26,27-20-9-3-10-21-27)28-22-11-4-12-23-28/h1-16,18-23H,17,24H2/q+1/b14-13-
InChIKeyGBBQASWZEHSKQM-YPKPFQOOSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.78
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

methanesulfonate;triphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium
CID 11283205
triphenyl-[(E)-6-phenylhex-2-enyl]phosphanium
CID 101160336
[(E)-4-hydroxybut-2-enyl]-triphenylphosphanium
CID 10894920
[(E)-4-bromobut-2-enyl]-triphenylphosphanium;hydrobromide
CID 20833566
[(E)-but-2-enyl]-triphenylphosphanium iodide
CID 19366382
3-iminoprop-2-enyl(triphenyl)phosphanium
CID 139243695
6-chlorohex-2-enyl(triphenyl)phosphanium bromide
CID 174231395
[(2Z,4E)-hexa-2,4-dienyl]-triphenylphosphanium
CID 13156160
penta-2,4-dienyl(triphenyl)phosphanium bromide
CID 72767674
CID 173481561
CID 173481561
4-phenylbut-2-ene-1-thiol
CID 54126363
10-bromodec-2-enyl(triphenyl)phosphanium
CID 174231321

Frequently Asked Questions

What is the IUPAC name of triphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium?
The IUPAC name of triphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium (CID 11283206) is triphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium.
What is the SMILES notation for triphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium?
The canonical SMILES for triphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium is C(=C\C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)\Cc1ccccc1.
What is the InChIKey of triphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium?
The InChIKey is GBBQASWZEHSKQM-YPKPFQOOSA-N. The full InChI is InChI=1S/C28H26P/c1-5-15-25(16-6-1)17-13-14-24-29(26-18-7-2-8-19-26,27-20-9-3-10-21-27)28-22-11-4-12-23-28/h1-16,18-23H,17,24H2/q+1/b14-13-.
What are the key properties of triphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium?
triphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium has a molecular weight of 393.49 g/mol, XLogP of 5.78, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium is sourced from PubChem (CID 11283206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).