triphenyl-[(E)-6-phenylhex-2-enyl]phosphanium

C30H30P+ — CID 101160336

IUPACtriphenyl-[(E)-6-phenylhex-2-enyl]phosphanium
SMILESC(=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)\CCCc1ccccc1
InChIInChI=1S/C30H30P/c1(7-17-27-18-8-3-9-19-27)2-16-26-31(28-20-10-4-11-21-28,29-22-12-5-13-23-29)30-24-14-6-15-25-30/h2-6,8-16,18-25H,1,7,17,26H2/q+1/b16-2+
InChIKeyVMBZNYVZAREBTI-APQPDGGLSA-N
MW421.54 g/mol
LogP6.56
Rot. Bonds9

About triphenyl-[(E)-6-phenylhex-2-enyl]phosphanium

triphenyl-[(E)-6-phenylhex-2-enyl]phosphanium (PubChem CID 101160336) has the molecular formula C30H30P+ and a molecular weight of 421.54 g/mol. Its IUPAC name is triphenyl-[(E)-6-phenylhex-2-enyl]phosphanium.

Molecular Properties

Compound Nametriphenyl-[(E)-6-phenylhex-2-enyl]phosphanium
PubChem CID101160336
Molecular FormulaC30H30P+
Molecular Weight421.54 g/mol
Exact Mass421.21
IUPAC Nametriphenyl-[(E)-6-phenylhex-2-enyl]phosphanium
SMILESC(=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)\CCCc1ccccc1
InChIInChI=1S/C30H30P/c1(7-17-27-18-8-3-9-19-27)2-16-26-31(28-20-10-4-11-21-28,29-22-12-5-13-23-29)30-24-14-6-15-25-30/h2-6,8-16,18-25H,1,7,17,26H2/q+1/b16-2+
InChIKeyVMBZNYVZAREBTI-APQPDGGLSA-N
XLogP6.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 56.56
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

6-chlorohex-2-enyl(triphenyl)phosphanium bromide
CID 174231395
12-iodododec-2-enyl(triphenyl)phosphanium
CID 174231296
10-bromodec-2-enyl(triphenyl)phosphanium
CID 174231321
triphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium
CID 11283206
12-bromododec-2-enyl(triphenyl)phosphanium chloride
CID 174231391
10-bromodec-2-enyl(triphenyl)phosphanium bromide
CID 174231358
9-chloronon-2-enyl(triphenyl)phosphanium chloride
CID 174231324
triphenyl(11-phenylundecyl)phosphanium
CID 23583359
[(E)-5-bromopent-4-enyl]benzene
CID 15076450
[(E)-4-hydroxybut-2-enyl]-triphenylphosphanium
CID 10894920
dodec-4-enylbenzene
CID 54018856
heptadec-4-enylbenzene
CID 173163087

Frequently Asked Questions

What is the IUPAC name of triphenyl-[(E)-6-phenylhex-2-enyl]phosphanium?
The IUPAC name of triphenyl-[(E)-6-phenylhex-2-enyl]phosphanium (CID 101160336) is triphenyl-[(E)-6-phenylhex-2-enyl]phosphanium.
What is the SMILES notation for triphenyl-[(E)-6-phenylhex-2-enyl]phosphanium?
The canonical SMILES for triphenyl-[(E)-6-phenylhex-2-enyl]phosphanium is C(=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)\CCCc1ccccc1.
What is the InChIKey of triphenyl-[(E)-6-phenylhex-2-enyl]phosphanium?
The InChIKey is VMBZNYVZAREBTI-APQPDGGLSA-N. The full InChI is InChI=1S/C30H30P/c1(7-17-27-18-8-3-9-19-27)2-16-26-31(28-20-10-4-11-21-28,29-22-12-5-13-23-29)30-24-14-6-15-25-30/h2-6,8-16,18-25H,1,7,17,26H2/q+1/b16-2+.
What are the key properties of triphenyl-[(E)-6-phenylhex-2-enyl]phosphanium?
triphenyl-[(E)-6-phenylhex-2-enyl]phosphanium has a molecular weight of 421.54 g/mol, XLogP of 6.56, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[(E)-6-phenylhex-2-enyl]phosphanium is sourced from PubChem (CID 101160336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).