tris(trioctylphosphane);tungsten

C72H153P3W — CID 158972203

IUPACtris(trioctylphosphane);tungsten
SMILESCCCCCCCCP(CCCCCCCC)CCCCCCCC.CCCCCCCCP(CCCCCCCC)CCCCCCCC.CCCCCCCCP(CCCCCCCC)CCCCCCCC.[W]
InChIInChI=1S/3C24H51P.W/c3*1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;/h3*4-24H2,1-3H3;
InChIKeyJNYLBJGHCBRSGS-UHFFFAOYSA-N
MW1295.78 g/mol
LogP28.65
Rot. Bonds63

About tris(trioctylphosphane);tungsten

tris(trioctylphosphane);tungsten (PubChem CID 158972203) has the molecular formula C72H153P3W and a molecular weight of 1295.78 g/mol. Its IUPAC name is tris(trioctylphosphane);tungsten.

Molecular Properties

Compound Nametris(trioctylphosphane);tungsten
PubChem CID158972203
Molecular FormulaC72H153P3W
Molecular Weight1295.78 g/mol
Exact Mass1295.07
IUPAC Nametris(trioctylphosphane);tungsten
SMILESCCCCCCCCP(CCCCCCCC)CCCCCCCC.CCCCCCCCP(CCCCCCCC)CCCCCCCC.CCCCCCCCP(CCCCCCCC)CCCCCCCC.[W]
InChIInChI=1S/3C24H51P.W/c3*1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;/h3*4-24H2,1-3H3;
InChIKeyJNYLBJGHCBRSGS-UHFFFAOYSA-N
XLogP28.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds63
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001295.78
LogP ≤ 528.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-dihexylphosphanylbutyl(dihexyl)phosphane
CID 90109945
hexyl-octyl-pentylphosphane
CID 90108526
dodecane;trioctylphosphane;dihydrobromide
CID 173344161
2-diheptylphosphanylethyl(diheptyl)phosphane
CID 90110075
bismuthane;trioctylphosphane
CID 174398286
dibutyl(decyl)phosphane
CID 171559269
2-dioctadecylphosphanylethyl(dioctadecyl)phosphane
CID 21448799
dibutyl(tetradecyl)phosphane
CID 118319275
tripentylphosphane
CID 2784073
cadmium;selane;trioctylphosphane
CID 174961482
bromomethane;trioctylphosphane
CID 175266178
azane;trioctylphosphane;hydrobromide
CID 174675093

Frequently Asked Questions

What is the IUPAC name of tris(trioctylphosphane);tungsten?
The IUPAC name of tris(trioctylphosphane);tungsten (CID 158972203) is tris(trioctylphosphane);tungsten.
What is the SMILES notation for tris(trioctylphosphane);tungsten?
The canonical SMILES for tris(trioctylphosphane);tungsten is CCCCCCCCP(CCCCCCCC)CCCCCCCC.CCCCCCCCP(CCCCCCCC)CCCCCCCC.CCCCCCCCP(CCCCCCCC)CCCCCCCC.[W].
What is the InChIKey of tris(trioctylphosphane);tungsten?
The InChIKey is JNYLBJGHCBRSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C24H51P.W/c3*1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;/h3*4-24H2,1-3H3;.
What are the key properties of tris(trioctylphosphane);tungsten?
tris(trioctylphosphane);tungsten has a molecular weight of 1295.78 g/mol, XLogP of 28.65, 63 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(trioctylphosphane);tungsten is sourced from PubChem (CID 158972203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).