1-benzyl-4-phenyl-1,4-diphosphinine

C17H16P2 — CID 13441113

IUPAC1-benzyl-4-phenyl-1,4-diphosphinine
SMILESC1=CP(c2ccccc2)C=CP1Cc1ccccc1
InChIInChI=1S/C17H16P2/c1-3-7-16(8-4-1)15-18-11-13-19(14-12-18)17-9-5-2-6-10-17/h1-14H,15H2
InChIKeyUKLJVNUBUBPWQA-UHFFFAOYSA-N
MW282.26 g/mol
LogP5.43
Rot. Bonds3

About 1-benzyl-4-phenyl-1,4-diphosphinine

1-benzyl-4-phenyl-1,4-diphosphinine (PubChem CID 13441113) has the molecular formula C17H16P2 and a molecular weight of 282.26 g/mol. Its IUPAC name is 1-benzyl-4-phenyl-1,4-diphosphinine.

Molecular Properties

Compound Name1-benzyl-4-phenyl-1,4-diphosphinine
PubChem CID13441113
Molecular FormulaC17H16P2
Molecular Weight282.26 g/mol
Exact Mass282.07
IUPAC Name1-benzyl-4-phenyl-1,4-diphosphinine
SMILESC1=CP(c2ccccc2)C=CP1Cc1ccccc1
InChIInChI=1S/C17H16P2/c1-3-7-16(8-4-1)15-18-11-13-19(14-12-18)17-9-5-2-6-10-17/h1-14H,15H2
InChIKeyUKLJVNUBUBPWQA-UHFFFAOYSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.26
LogP ≤ 55.43
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

1,5,10,14-tetrabenzyl-1,5,10,14-tetraphosphacyclooctadecane
CID 134976395
1-benzyl-2,5-dihydrophosphole
CID 23279889
1,2,3-triphenyltriphosphirane
CID 15826924
benzene;2-phenylethylbenzene
CID 18982764
phenyl(113C)methylbenzene
CID 11194569
6-phenylhexa-2,4-dienylbenzene;titanium
CID 161467723
dibenzyltin
CID 29345
CID 102088352
CID 102088352
1,3,5-tribenzyl-7-phenyl-1,5,3,7-diazadiphosphocane
CID 3070050
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
2,3-dimethylbutylbenzene
CID 12054035
1-benzylpyridin-1-ium;copper
CID 175162288

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-phenyl-1,4-diphosphinine?
The IUPAC name of 1-benzyl-4-phenyl-1,4-diphosphinine (CID 13441113) is 1-benzyl-4-phenyl-1,4-diphosphinine.
What is the SMILES notation for 1-benzyl-4-phenyl-1,4-diphosphinine?
The canonical SMILES for 1-benzyl-4-phenyl-1,4-diphosphinine is C1=CP(c2ccccc2)C=CP1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-phenyl-1,4-diphosphinine?
The InChIKey is UKLJVNUBUBPWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16P2/c1-3-7-16(8-4-1)15-18-11-13-19(14-12-18)17-9-5-2-6-10-17/h1-14H,15H2.
What are the key properties of 1-benzyl-4-phenyl-1,4-diphosphinine?
1-benzyl-4-phenyl-1,4-diphosphinine has a molecular weight of 282.26 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-phenyl-1,4-diphosphinine is sourced from PubChem (CID 13441113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).