1-diphenylphosphanylicosan-2-yl(diphenyl)phosphane

C44H60P2 — CID 20520959

IUPAC1-diphenylphosphanylicosan-2-yl(diphenyl)phosphane
SMILESCCCCCCCCCCCCCCCCCCC(CP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H60P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-38-44(46(42-34-26-19-27-35-42)43-36-28-20-29-37-43)39-45(40-30-22-17-23-31-40)41-32-24-18-25-33-41/h17-20,22-37,44H,2-16,21,38-39H2,1H3
InChIKeyVCXDSKMVAXOHIR-UHFFFAOYSA-N
MW650.91 g/mol
LogP12.27
Rot. Bonds24

About 1-diphenylphosphanylicosan-2-yl(diphenyl)phosphane

1-diphenylphosphanylicosan-2-yl(diphenyl)phosphane (PubChem CID 20520959) has the molecular formula C44H60P2 and a molecular weight of 650.91 g/mol. Its IUPAC name is 1-diphenylphosphanylicosan-2-yl(diphenyl)phosphane.

Molecular Properties

Compound Name1-diphenylphosphanylicosan-2-yl(diphenyl)phosphane
PubChem CID20520959
Molecular FormulaC44H60P2
Molecular Weight650.91 g/mol
Exact Mass650.42
IUPAC Name1-diphenylphosphanylicosan-2-yl(diphenyl)phosphane
SMILESCCCCCCCCCCCCCCCCCCC(CP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H60P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-38-44(46(42-34-26-19-27-35-42)43-36-28-20-29-37-43)39-45(40-30-22-17-23-31-40)41-32-24-18-25-33-41/h17-20,22-37,44H,2-16,21,38-39H2,1H3
InChIKeyVCXDSKMVAXOHIR-UHFFFAOYSA-N
XLogP12.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.91
LogP ≤ 512.27
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

1-diphenylphosphanylpentan-2-yl(diphenyl)phosphane
CID 20520952
diphenyl(1-phenylheptan-2-yl)phosphane
CID 139486900
octan-2-yl(diphenyl)phosphane
CID 18359504
(2R)-2,3-bis(diphenylphosphanyl)propan-1-ol
CID 12914091
2-diphenylphosphanylundecanoic acid
CID 140969530
[(E,2S,5R)-2-methyl-5-phenylundec-3-enyl]-diphenylphosphane
CID 15204396
ethyl (3S)-3,4-bis(diphenylphosphanyl)butanoate
CID 102040167
[(2R)-1-diphenylphosphanylpropan-2-yl]-diphenylphosphane
CID 2724539
[(Z)-5-methylundec-3-enyl]-diphenylphosphane
CID 15204394
hexyl(triphenyl)phosphanium
CID 2724570
1-(1-phenyloctadecoxy)octadecylbenzene
CID 175415236
dodecyl(triphenyl)phosphanium iodide
CID 22245251

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphanylicosan-2-yl(diphenyl)phosphane?
The IUPAC name of 1-diphenylphosphanylicosan-2-yl(diphenyl)phosphane (CID 20520959) is 1-diphenylphosphanylicosan-2-yl(diphenyl)phosphane.
What is the SMILES notation for 1-diphenylphosphanylicosan-2-yl(diphenyl)phosphane?
The canonical SMILES for 1-diphenylphosphanylicosan-2-yl(diphenyl)phosphane is CCCCCCCCCCCCCCCCCCC(CP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diphenylphosphanylicosan-2-yl(diphenyl)phosphane?
The InChIKey is VCXDSKMVAXOHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H60P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-38-44(46(42-34-26-19-27-35-42)43-36-28-20-29-37-43)39-45(40-30-22-17-23-31-40)41-32-24-18-25-33-41/h17-20,22-37,44H,2-16,21,38-39H2,1H3.
What are the key properties of 1-diphenylphosphanylicosan-2-yl(diphenyl)phosphane?
1-diphenylphosphanylicosan-2-yl(diphenyl)phosphane has a molecular weight of 650.91 g/mol, XLogP of 12.27, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphanylicosan-2-yl(diphenyl)phosphane is sourced from PubChem (CID 20520959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).