non-3-enylidene(triphenyl)-λ5-phosphane

C27H31P — CID 57280136

IUPACnon-3-enylidene(triphenyl)-λ5-phosphane
SMILESCCCCCC=CCC=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H31P/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/h6-16,18-24H,2-5,17H2,1H3
InChIKeyBYJYXTDHAKRVDV-UHFFFAOYSA-N
MW386.52 g/mol
LogP6.31
Rot. Bonds9

About non-3-enylidene(triphenyl)-λ5-phosphane

non-3-enylidene(triphenyl)-λ5-phosphane (PubChem CID 57280136) has the molecular formula C27H31P and a molecular weight of 386.52 g/mol. Its IUPAC name is non-3-enylidene(triphenyl)-λ5-phosphane.

Molecular Properties

Compound Namenon-3-enylidene(triphenyl)-λ5-phosphane
PubChem CID57280136
Molecular FormulaC27H31P
Molecular Weight386.52 g/mol
Exact Mass386.22
IUPAC Namenon-3-enylidene(triphenyl)-λ5-phosphane
SMILESCCCCCC=CCC=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H31P/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/h6-16,18-24H,2-5,17H2,1H3
InChIKeyBYJYXTDHAKRVDV-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 56.31
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

[(Z)-oct-1-enyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 122379298
[(E)-oct-1-enyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 154722495
triphenyl-[5-(triphenyl-lambda5-phosphanylidene)pentylidene]-lambda5-phosphane
CID 12864161
[(E)-oct-2-enyl]benzene
CID 13383320
dodec-4-enylbenzene
CID 54018856
nonadec-10-enylbenzene
CID 54264053
[(Z)-heptadec-10-enyl]benzene
CID 175397737
heptadec-4-enylbenzene
CID 173163087
[(Z)-octadec-9-enoxy]-phenylphosphinic acid
CID 175578268
neodymium(3+);tris([(Z)-octadec-9-enoxy]-phenylphosphinate)
CID 175578267
dimethyl-octadec-9-enyl-phenylazanium
CID 123303773
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115

Frequently Asked Questions

What is the IUPAC name of non-3-enylidene(triphenyl)-λ5-phosphane?
The IUPAC name of non-3-enylidene(triphenyl)-λ5-phosphane (CID 57280136) is non-3-enylidene(triphenyl)-λ5-phosphane.
What is the SMILES notation for non-3-enylidene(triphenyl)-λ5-phosphane?
The canonical SMILES for non-3-enylidene(triphenyl)-λ5-phosphane is CCCCCC=CCC=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of non-3-enylidene(triphenyl)-λ5-phosphane?
The InChIKey is BYJYXTDHAKRVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31P/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/h6-16,18-24H,2-5,17H2,1H3.
What are the key properties of non-3-enylidene(triphenyl)-λ5-phosphane?
non-3-enylidene(triphenyl)-λ5-phosphane has a molecular weight of 386.52 g/mol, XLogP of 6.31, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for non-3-enylidene(triphenyl)-λ5-phosphane is sourced from PubChem (CID 57280136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).