tributyl(9-tributylphosphaniumylnonyl)phosphanium

C33H72P2+2 — CID 59839708

IUPACtributyl(9-tributylphosphaniumylnonyl)phosphanium
SMILESCCCC[P+](CCCC)(CCCC)CCCCCCCCC[P+](CCCC)(CCCC)CCCC
InChIInChI=1S/C33H72P2/c1-7-13-26-34(27-14-8-2,28-15-9-3)32-24-22-20-19-21-23-25-33-35(29-16-10-4,30-17-11-5)31-18-12-6/h7-33H2,1-6H3/q+2
InChIKeyMLANQCDKJUIJQO-UHFFFAOYSA-N
MW530.89 g/mol
LogP12.55
Rot. Bonds28

About tributyl(9-tributylphosphaniumylnonyl)phosphanium

tributyl(9-tributylphosphaniumylnonyl)phosphanium (PubChem CID 59839708) has the molecular formula C33H72P2+2 and a molecular weight of 530.89 g/mol. Its IUPAC name is tributyl(9-tributylphosphaniumylnonyl)phosphanium.

Molecular Properties

Compound Nametributyl(9-tributylphosphaniumylnonyl)phosphanium
PubChem CID59839708
Molecular FormulaC33H72P2+2
Molecular Weight530.89 g/mol
Exact Mass530.51
IUPAC Nametributyl(9-tributylphosphaniumylnonyl)phosphanium
SMILESCCCC[P+](CCCC)(CCCC)CCCCCCCCC[P+](CCCC)(CCCC)CCCC
InChIInChI=1S/C33H72P2/c1-7-13-26-34(27-14-8-2,28-15-9-3)32-24-22-20-19-21-23-25-33-35(29-16-10-4,30-17-11-5)31-18-12-6/h7-33H2,1-6H3/q+2
InChIKeyMLANQCDKJUIJQO-UHFFFAOYSA-N
XLogP12.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds28
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.89
LogP ≤ 512.55
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

tributyl(tridecyl)phosphanium
CID 87194469
tributyl(icosyl)phosphanium
CID 23086982
butyl(triheptyl)phosphanium
CID 87777247
tributyl(tetradecyl)phosphanium;hydrochloride
CID 174356209
dibutyl(didecyl)phosphanium chloride
CID 87777295
azane;tributyl(hexadecyl)phosphanium
CID 172712894
tributyl(pentadecyl)phosphanium bromide
CID 86639781
antimony(3+);tributyl(dodecyl)phosphanium
CID 158196922
dibutyl(didecyl)phosphanium iodide
CID 87776919
trihexyl-[12-[hexyl(dioctyl)phosphaniumyl]dodecyl]phosphanium
CID 158334391
heptyl-tri(undecyl)phosphanium
CID 87895668
nonyl-tri(pentadecyl)phosphanium
CID 87807671

Frequently Asked Questions

What is the IUPAC name of tributyl(9-tributylphosphaniumylnonyl)phosphanium?
The IUPAC name of tributyl(9-tributylphosphaniumylnonyl)phosphanium (CID 59839708) is tributyl(9-tributylphosphaniumylnonyl)phosphanium.
What is the SMILES notation for tributyl(9-tributylphosphaniumylnonyl)phosphanium?
The canonical SMILES for tributyl(9-tributylphosphaniumylnonyl)phosphanium is CCCC[P+](CCCC)(CCCC)CCCCCCCCC[P+](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(9-tributylphosphaniumylnonyl)phosphanium?
The InChIKey is MLANQCDKJUIJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H72P2/c1-7-13-26-34(27-14-8-2,28-15-9-3)32-24-22-20-19-21-23-25-33-35(29-16-10-4,30-17-11-5)31-18-12-6/h7-33H2,1-6H3/q+2.
What are the key properties of tributyl(9-tributylphosphaniumylnonyl)phosphanium?
tributyl(9-tributylphosphaniumylnonyl)phosphanium has a molecular weight of 530.89 g/mol, XLogP of 12.55, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(9-tributylphosphaniumylnonyl)phosphanium is sourced from PubChem (CID 59839708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).