dibenzyl(1-phenylethenyl)phosphane

C22H21P — CID 172742220

IUPACdibenzyl(1-phenylethenyl)phosphane
SMILESC=C(c1ccccc1)P(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H21P/c1-19(22-15-9-4-10-16-22)23(17-20-11-5-2-6-12-20)18-21-13-7-3-8-14-21/h2-16H,1,17-18H2
InChIKeyJGFPTWJYHXHRLP-UHFFFAOYSA-N
MW316.38 g/mol
LogP6.54
Rot. Bonds6

About dibenzyl(1-phenylethenyl)phosphane

dibenzyl(1-phenylethenyl)phosphane (PubChem CID 172742220) has the molecular formula C22H21P and a molecular weight of 316.38 g/mol. Its IUPAC name is dibenzyl(1-phenylethenyl)phosphane.

Molecular Properties

Compound Namedibenzyl(1-phenylethenyl)phosphane
PubChem CID172742220
Molecular FormulaC22H21P
Molecular Weight316.38 g/mol
Exact Mass316.14
IUPAC Namedibenzyl(1-phenylethenyl)phosphane
SMILESC=C(c1ccccc1)P(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H21P/c1-19(22-15-9-4-10-16-22)23(17-20-11-5-2-6-12-20)18-21-13-7-3-8-14-21/h2-16H,1,17-18H2
InChIKeyJGFPTWJYHXHRLP-UHFFFAOYSA-N
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.38
LogP ≤ 56.54
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

palladium;bis(tribenzylphosphane)
CID 87652258
phenacyl
CID 11123355
ethane-1,2-diol;[(E)-1,3,4-triphenylbut-2-en-2-yl]benzene
CID 70616201
ethane-1,2-diol;prop-1-en-2-ylbenzene
CID 68647860
potassium 1-phenylethenylbenzene
CID 19358731
1-phenylethenylbenzene;hydrochloride
CID 70400725
1-phenylethenyl-bis(2,2,2-trifluoroethoxy)phosphane
CID 14341019
CID 101349022
CID 101349022
S-(1-phenylethenyl)thiohydroxylamine
CID 152889911
phenylmethanol;titanium;dihydrochloride
CID 88632851
molecular hydrogen;phenylmethanol
CID 158888584
4-phenylpenta-1,4-dien-2-ylbenzene
CID 102571838

Frequently Asked Questions

What is the IUPAC name of dibenzyl(1-phenylethenyl)phosphane?
The IUPAC name of dibenzyl(1-phenylethenyl)phosphane (CID 172742220) is dibenzyl(1-phenylethenyl)phosphane.
What is the SMILES notation for dibenzyl(1-phenylethenyl)phosphane?
The canonical SMILES for dibenzyl(1-phenylethenyl)phosphane is C=C(c1ccccc1)P(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of dibenzyl(1-phenylethenyl)phosphane?
The InChIKey is JGFPTWJYHXHRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21P/c1-19(22-15-9-4-10-16-22)23(17-20-11-5-2-6-12-20)18-21-13-7-3-8-14-21/h2-16H,1,17-18H2.
What are the key properties of dibenzyl(1-phenylethenyl)phosphane?
dibenzyl(1-phenylethenyl)phosphane has a molecular weight of 316.38 g/mol, XLogP of 6.54, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl(1-phenylethenyl)phosphane is sourced from PubChem (CID 172742220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).