1-diphenylphosphanylbut-1-enyl(diphenyl)phosphane

C28H26P2 — CID 87086288

IUPAC1-diphenylphosphanylbut-1-enyl(diphenyl)phosphane
SMILESCCC=C(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H26P2/c1-2-15-28(29(24-16-7-3-8-17-24)25-18-9-4-10-19-25)30(26-20-11-5-12-21-26)27-22-13-6-14-23-27/h3-23H,2H2,1H3
InChIKeyCAWQNTWQKGPWPX-UHFFFAOYSA-N
MW424.46 g/mol
LogP6.50
Rot. Bonds7

About 1-diphenylphosphanylbut-1-enyl(diphenyl)phosphane

1-diphenylphosphanylbut-1-enyl(diphenyl)phosphane (PubChem CID 87086288) has the molecular formula C28H26P2 and a molecular weight of 424.46 g/mol. Its IUPAC name is 1-diphenylphosphanylbut-1-enyl(diphenyl)phosphane.

Molecular Properties

Compound Name1-diphenylphosphanylbut-1-enyl(diphenyl)phosphane
PubChem CID87086288
Molecular FormulaC28H26P2
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC Name1-diphenylphosphanylbut-1-enyl(diphenyl)phosphane
SMILESCCC=C(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H26P2/c1-2-15-28(29(24-16-7-3-8-17-24)25-18-9-4-10-19-25)30(26-20-11-5-12-21-26)27-22-13-6-14-23-27/h3-23H,2H2,1H3
InChIKeyCAWQNTWQKGPWPX-UHFFFAOYSA-N
XLogP6.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.46
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphanylbut-1-enyl(diphenyl)phosphane?
The IUPAC name of 1-diphenylphosphanylbut-1-enyl(diphenyl)phosphane (CID 87086288) is 1-diphenylphosphanylbut-1-enyl(diphenyl)phosphane.
What is the SMILES notation for 1-diphenylphosphanylbut-1-enyl(diphenyl)phosphane?
The canonical SMILES for 1-diphenylphosphanylbut-1-enyl(diphenyl)phosphane is CCC=C(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diphenylphosphanylbut-1-enyl(diphenyl)phosphane?
The InChIKey is CAWQNTWQKGPWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26P2/c1-2-15-28(29(24-16-7-3-8-17-24)25-18-9-4-10-19-25)30(26-20-11-5-12-21-26)27-22-13-6-14-23-27/h3-23H,2H2,1H3.
What are the key properties of 1-diphenylphosphanylbut-1-enyl(diphenyl)phosphane?
1-diphenylphosphanylbut-1-enyl(diphenyl)phosphane has a molecular weight of 424.46 g/mol, XLogP of 6.50, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphanylbut-1-enyl(diphenyl)phosphane is sourced from PubChem (CID 87086288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).