bis[3-[methyl(phenyl)phosphanyl]propyl]-phenylphosphane

C26H33P3 — CID 58654516

IUPACbis[3-[methyl(phenyl)phosphanyl]propyl]-phenylphosphane
SMILESCP(CCCP(CCCP(C)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H33P3/c1-27(24-14-6-3-7-15-24)20-12-22-29(26-18-10-5-11-19-26)23-13-21-28(2)25-16-8-4-9-17-25/h3-11,14-19H,12-13,20-23H2,1-2H3
InChIKeySWWZIVJWWNIEBA-UHFFFAOYSA-N
MW438.47 g/mol
LogP6.45
Rot. Bonds11

About bis[3-[methyl(phenyl)phosphanyl]propyl]-phenylphosphane

bis[3-[methyl(phenyl)phosphanyl]propyl]-phenylphosphane (PubChem CID 58654516) has the molecular formula C26H33P3 and a molecular weight of 438.47 g/mol. Its IUPAC name is bis[3-[methyl(phenyl)phosphanyl]propyl]-phenylphosphane.

Molecular Properties

Compound Namebis[3-[methyl(phenyl)phosphanyl]propyl]-phenylphosphane
PubChem CID58654516
Molecular FormulaC26H33P3
Molecular Weight438.47 g/mol
Exact Mass438.18
IUPAC Namebis[3-[methyl(phenyl)phosphanyl]propyl]-phenylphosphane
SMILESCP(CCCP(CCCP(C)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H33P3/c1-27(24-14-6-3-7-15-24)20-12-22-29(26-18-10-5-11-19-26)23-13-21-28(2)25-16-8-4-9-17-25/h3-11,14-19H,12-13,20-23H2,1-2H3
InChIKeySWWZIVJWWNIEBA-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.47
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

butyl-methyl-phenylphosphane
CID 14832966
3-[3-[3-hydroxypropyl(phenyl)phosphanyl]propyl-phenylphosphanyl]propan-1-ol
CID 14871357
dipentyl(phenyl)phosphane
CID 3085487
bis[3-di(propan-2-yloxy)phosphanylpropyl]-phenylphosphane
CID 102211792
(S)-ethyl-methyl-phenylphosphane
CID 10909914
3-[3-diphenylphosphanylpropyl(phenyl)phosphanyl]-N,N-dimethylpropan-1-amine
CID 12578065
ethyl-[2-[ethyl(phenyl)phosphanyl]ethyl]-phenylphosphane
CID 22760091
3-[methyl(phenyl)phosphanyl]propanenitrile
CID 86160293
2-[2-(dimethylamino)ethyl-phenylphosphanyl]-N,N-dimethylethanamine
CID 70119668
diphenyl-[3-[phenyl(2-triethoxysilylethyl)phosphanyl]propyl]phosphane
CID 11181263
2-bromoethyl-[2-[2-bromoethyl(phenyl)phosphanyl]ethyl]-phenylphosphane
CID 102487174
4-dimethylphosphanylbutyl(diphenyl)phosphane
CID 13159123

Frequently Asked Questions

What is the IUPAC name of bis[3-[methyl(phenyl)phosphanyl]propyl]-phenylphosphane?
The IUPAC name of bis[3-[methyl(phenyl)phosphanyl]propyl]-phenylphosphane (CID 58654516) is bis[3-[methyl(phenyl)phosphanyl]propyl]-phenylphosphane.
What is the SMILES notation for bis[3-[methyl(phenyl)phosphanyl]propyl]-phenylphosphane?
The canonical SMILES for bis[3-[methyl(phenyl)phosphanyl]propyl]-phenylphosphane is CP(CCCP(CCCP(C)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of bis[3-[methyl(phenyl)phosphanyl]propyl]-phenylphosphane?
The InChIKey is SWWZIVJWWNIEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33P3/c1-27(24-14-6-3-7-15-24)20-12-22-29(26-18-10-5-11-19-26)23-13-21-28(2)25-16-8-4-9-17-25/h3-11,14-19H,12-13,20-23H2,1-2H3.
What are the key properties of bis[3-[methyl(phenyl)phosphanyl]propyl]-phenylphosphane?
bis[3-[methyl(phenyl)phosphanyl]propyl]-phenylphosphane has a molecular weight of 438.47 g/mol, XLogP of 6.45, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-[methyl(phenyl)phosphanyl]propyl]-phenylphosphane is sourced from PubChem (CID 58654516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).