[2-[2-(2,5-dibromophenyl)ethenyl]phenyl]-diphenylphosphane

C26H19Br2P — CID 76623514

IUPAC[2-[2-(2,5-dibromophenyl)ethenyl]phenyl]-diphenylphosphane
SMILESBrc1ccc(Br)c(C=Cc2ccccc2P(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H19Br2P/c27-22-17-18-25(28)21(19-22)16-15-20-9-7-8-14-26(20)29(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-19H
InChIKeyMLZQHBAMNZSMFY-UHFFFAOYSA-N
MW522.22 g/mol
LogP7.14
Rot. Bonds5

About [2-[2-(2,5-dibromophenyl)ethenyl]phenyl]-diphenylphosphane

[2-[2-(2,5-dibromophenyl)ethenyl]phenyl]-diphenylphosphane (PubChem CID 76623514) has the molecular formula C26H19Br2P and a molecular weight of 522.22 g/mol. Its IUPAC name is [2-[2-(2,5-dibromophenyl)ethenyl]phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[2-(2,5-dibromophenyl)ethenyl]phenyl]-diphenylphosphane
PubChem CID76623514
Molecular FormulaC26H19Br2P
Molecular Weight522.22 g/mol
Exact Mass519.96
IUPAC Name[2-[2-(2,5-dibromophenyl)ethenyl]phenyl]-diphenylphosphane
SMILESBrc1ccc(Br)c(C=Cc2ccccc2P(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H19Br2P/c27-22-17-18-25(28)21(19-22)16-15-20-9-7-8-14-26(20)29(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-19H
InChIKeyMLZQHBAMNZSMFY-UHFFFAOYSA-N
XLogP7.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.22
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(2,5-dibromophenyl)ethenyl]phenyl]-diphenylphosphane?
The IUPAC name of [2-[2-(2,5-dibromophenyl)ethenyl]phenyl]-diphenylphosphane (CID 76623514) is [2-[2-(2,5-dibromophenyl)ethenyl]phenyl]-diphenylphosphane.
What is the SMILES notation for [2-[2-(2,5-dibromophenyl)ethenyl]phenyl]-diphenylphosphane?
The canonical SMILES for [2-[2-(2,5-dibromophenyl)ethenyl]phenyl]-diphenylphosphane is Brc1ccc(Br)c(C=Cc2ccccc2P(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [2-[2-(2,5-dibromophenyl)ethenyl]phenyl]-diphenylphosphane?
The InChIKey is MLZQHBAMNZSMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Br2P/c27-22-17-18-25(28)21(19-22)16-15-20-9-7-8-14-26(20)29(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-19H.
What are the key properties of [2-[2-(2,5-dibromophenyl)ethenyl]phenyl]-diphenylphosphane?
[2-[2-(2,5-dibromophenyl)ethenyl]phenyl]-diphenylphosphane has a molecular weight of 522.22 g/mol, XLogP of 7.14, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2,5-dibromophenyl)ethenyl]phenyl]-diphenylphosphane is sourced from PubChem (CID 76623514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).