[(E)-2-diphenylphosphanylethenyl]-diphenylphosphane

C26H22P2 — CID 2733288

IUPAC[(E)-2-diphenylphosphanylethenyl]-diphenylphosphane
SMILESC(=C/P(c1ccccc1)c1ccccc1)\P(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H22P2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H/b22-21+
InChIKeyNCKJIJSEWKIXAT-QURGRASLSA-N
MW396.41 g/mol
LogP5.72
Rot. Bonds6

About [(E)-2-diphenylphosphanylethenyl]-diphenylphosphane

[(E)-2-diphenylphosphanylethenyl]-diphenylphosphane (PubChem CID 2733288) has the molecular formula C26H22P2 and a molecular weight of 396.41 g/mol. Its IUPAC name is [(E)-2-diphenylphosphanylethenyl]-diphenylphosphane.

Molecular Properties

Compound Name[(E)-2-diphenylphosphanylethenyl]-diphenylphosphane
PubChem CID2733288
Molecular FormulaC26H22P2
Molecular Weight396.41 g/mol
Exact Mass396.12
IUPAC Name[(E)-2-diphenylphosphanylethenyl]-diphenylphosphane
SMILESC(=C/P(c1ccccc1)c1ccccc1)\P(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H22P2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H/b22-21+
InChIKeyNCKJIJSEWKIXAT-QURGRASLSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.41
LogP ≤ 55.72
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 [(E)-2-diphenylphosphanylethenyl]-diphenylphosphane?
The IUPAC name of [(E)-2-diphenylphosphanylethenyl]-diphenylphosphane (CID 2733288) is [(E)-2-diphenylphosphanylethenyl]-diphenylphosphane.
What is the SMILES notation for [(E)-2-diphenylphosphanylethenyl]-diphenylphosphane?
The canonical SMILES for [(E)-2-diphenylphosphanylethenyl]-diphenylphosphane is C(=C/P(c1ccccc1)c1ccccc1)\P(c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-2-diphenylphosphanylethenyl]-diphenylphosphane?
The InChIKey is NCKJIJSEWKIXAT-QURGRASLSA-N. The full InChI is InChI=1S/C26H22P2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H/b22-21+.
What are the key properties of [(E)-2-diphenylphosphanylethenyl]-diphenylphosphane?
[(E)-2-diphenylphosphanylethenyl]-diphenylphosphane has a molecular weight of 396.41 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-diphenylphosphanylethenyl]-diphenylphosphane is sourced from PubChem (CID 2733288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).