2-(2-diphenylphosphinoselenoylethylselanyl)ethyl-diphenyl-selanylidene-λ5-phosphane

C28H28P2Se3 — CID 132544462

IUPAC2-(2-diphenylphosphinoselenoylethylselanyl)ethyl-diphenyl-selanylidene-λ5-phosphane
SMILES[Se]=P(CC[Se]CCP(=[Se])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28P2Se3/c31-29(25-13-5-1-6-14-25,26-15-7-2-8-16-26)21-23-33-24-22-30(32,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKeyCTRPEWGGRIMZKV-UHFFFAOYSA-N
MW663.36 g/mol
LogP5.03
Rot. Bonds10

About 2-(2-diphenylphosphinoselenoylethylselanyl)ethyl-diphenyl-selanylidene-λ5-phosphane

2-(2-diphenylphosphinoselenoylethylselanyl)ethyl-diphenyl-selanylidene-λ5-phosphane (PubChem CID 132544462) has the molecular formula C28H28P2Se3 and a molecular weight of 663.36 g/mol. Its IUPAC name is 2-(2-diphenylphosphinoselenoylethylselanyl)ethyl-diphenyl-selanylidene-λ5-phosphane.

Molecular Properties

Compound Name2-(2-diphenylphosphinoselenoylethylselanyl)ethyl-diphenyl-selanylidene-λ5-phosphane
PubChem CID132544462
Molecular FormulaC28H28P2Se3
Molecular Weight663.36 g/mol
Exact Mass665.92
IUPAC Name2-(2-diphenylphosphinoselenoylethylselanyl)ethyl-diphenyl-selanylidene-λ5-phosphane
SMILES[Se]=P(CC[Se]CCP(=[Se])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28P2Se3/c31-29(25-13-5-1-6-14-25,26-15-7-2-8-16-26)21-23-33-24-22-30(32,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKeyCTRPEWGGRIMZKV-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.36
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-diphenylphosphinoselenoylethylselanyl)ethyl-diphenyl-selanylidene-λ5-phosphane?
The IUPAC name of 2-(2-diphenylphosphinoselenoylethylselanyl)ethyl-diphenyl-selanylidene-λ5-phosphane (CID 132544462) is 2-(2-diphenylphosphinoselenoylethylselanyl)ethyl-diphenyl-selanylidene-λ5-phosphane.
What is the SMILES notation for 2-(2-diphenylphosphinoselenoylethylselanyl)ethyl-diphenyl-selanylidene-λ5-phosphane?
The canonical SMILES for 2-(2-diphenylphosphinoselenoylethylselanyl)ethyl-diphenyl-selanylidene-λ5-phosphane is [Se]=P(CC[Se]CCP(=[Se])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-diphenylphosphinoselenoylethylselanyl)ethyl-diphenyl-selanylidene-λ5-phosphane?
The InChIKey is CTRPEWGGRIMZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28P2Se3/c31-29(25-13-5-1-6-14-25,26-15-7-2-8-16-26)21-23-33-24-22-30(32,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20H,21-24H2.
What are the key properties of 2-(2-diphenylphosphinoselenoylethylselanyl)ethyl-diphenyl-selanylidene-λ5-phosphane?
2-(2-diphenylphosphinoselenoylethylselanyl)ethyl-diphenyl-selanylidene-λ5-phosphane has a molecular weight of 663.36 g/mol, XLogP of 5.03, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-diphenylphosphinoselenoylethylselanyl)ethyl-diphenyl-selanylidene-λ5-phosphane is sourced from PubChem (CID 132544462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).