benzyl-ditert-butyl-ditert-butylphosphanylphosphanylidene-lambda5-phosphane

C23H43P3 — CID 15264582

IUPACbenzyl-ditert-butyl-ditert-butylphosphanylphosphanylidene-lambda5-phosphane
SMILESCC(C)(C)P(P=P(Cc1ccccc1)(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C23H43P3/c1-20(2,3)25(21(4,5)6)24-26(22(7,8)9,23(10,11)12)18-19-16-14-13-15-17-19/h13-17H,18H2,1-12H3
InChIKeyFMTPPQNVSSDYFJ-UHFFFAOYSA-N
MW412.52 g/mol
LogP9.66
Rot. Bonds3

About benzyl-ditert-butyl-ditert-butylphosphanylphosphanylidene-lambda5-phosphane

benzyl-ditert-butyl-ditert-butylphosphanylphosphanylidene-lambda5-phosphane (PubChem CID 15264582) has the molecular formula C23H43P3 and a molecular weight of 412.52 g/mol. Its IUPAC name is benzyl-ditert-butyl-ditert-butylphosphanylphosphanylidene-lambda5-phosphane.

Molecular Properties

Compound Namebenzyl-ditert-butyl-ditert-butylphosphanylphosphanylidene-lambda5-phosphane
PubChem CID15264582
Molecular FormulaC23H43P3
Molecular Weight412.52 g/mol
Exact Mass412.26
IUPAC Namebenzyl-ditert-butyl-ditert-butylphosphanylphosphanylidene-lambda5-phosphane
SMILESCC(C)(C)P(P=P(Cc1ccccc1)(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C23H43P3/c1-20(2,3)25(21(4,5)6)24-26(22(7,8)9,23(10,11)12)18-19-16-14-13-15-17-19/h13-17H,18H2,1-12H3
InChIKeyFMTPPQNVSSDYFJ-UHFFFAOYSA-N
XLogP9.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.52
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze benzyl-ditert-butyl-ditert-butylphosphanylphosphanylidene-lambda5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl-ditert-butyl-sulfanylidene-λ5-phosphane
CID 175377424
[tert-butyl(phenyl)phosphoryl]methylbenzene
CID 10612241
benzyl(ditert-butyl)azanium
CID 58320117
2,2-bis(dibenzylphosphoryl)propanoic acid
CID 23103485
(2-methyl-2-phenylmethoxypropyl)benzene
CID 86203864
benzyl-[2-[benzyl(tert-butyl)phosphanyl]phenyl]-tert-butylphosphane
CID 102459485
(2-methoxy-2-methylpropyl)benzene
CID 3842751
2,2-dimethylpropane;phenylmethanamine
CID 158787980
ethane;2,4,4-trimethylpentan-2-yloxymethylbenzene
CID 158923607
1-N-benzyl-2-N,2-dimethylpropane-1,2-diamine
CID 62847859
(2-fluoro-2-methylpropyl)benzene
CID 14343442
ethylbenzene;2-methylpropan-2-amine
CID 142271167

Frequently Asked Questions

What is the IUPAC name of benzyl-ditert-butyl-ditert-butylphosphanylphosphanylidene-lambda5-phosphane?
The IUPAC name of benzyl-ditert-butyl-ditert-butylphosphanylphosphanylidene-lambda5-phosphane (CID 15264582) is benzyl-ditert-butyl-ditert-butylphosphanylphosphanylidene-lambda5-phosphane.
What is the SMILES notation for benzyl-ditert-butyl-ditert-butylphosphanylphosphanylidene-lambda5-phosphane?
The canonical SMILES for benzyl-ditert-butyl-ditert-butylphosphanylphosphanylidene-lambda5-phosphane is CC(C)(C)P(P=P(Cc1ccccc1)(C(C)(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of benzyl-ditert-butyl-ditert-butylphosphanylphosphanylidene-lambda5-phosphane?
The InChIKey is FMTPPQNVSSDYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43P3/c1-20(2,3)25(21(4,5)6)24-26(22(7,8)9,23(10,11)12)18-19-16-14-13-15-17-19/h13-17H,18H2,1-12H3.
What are the key properties of benzyl-ditert-butyl-ditert-butylphosphanylphosphanylidene-lambda5-phosphane?
benzyl-ditert-butyl-ditert-butylphosphanylphosphanylidene-lambda5-phosphane has a molecular weight of 412.52 g/mol, XLogP of 9.66, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-ditert-butyl-ditert-butylphosphanylphosphanylidene-lambda5-phosphane is sourced from PubChem (CID 15264582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).