CID 6394583

C25H24P2Se2 — CID 6394583

IUPAC—
SMILES[H][Se]=P(CP(=[Se][H])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24P2Se2/c28-26(22-13-5-1-6-14-22,23-15-7-2-8-16-23)21-27(29,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,28-29H,21H2
InChIKeyBXUBIMKJSJICQV-UHFFFAOYSA-N
MW544.34 g/mol
LogP3.91
Rot. Bonds6

About CID 6394583

CID 6394583 (PubChem CID 6394583) has the molecular formula C25H24P2Se2 and a molecular weight of 544.34 g/mol.

Molecular Properties

Compound NameCID 6394583
PubChem CID6394583
Molecular FormulaC25H24P2Se2
Molecular Weight544.34 g/mol
Exact Mass545.97
IUPAC Name—
SMILES[H][Se]=P(CP(=[Se][H])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24P2Se2/c28-26(22-13-5-1-6-14-22,23-15-7-2-8-16-23)21-27(29,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,28-29H,21H2
InChIKeyBXUBIMKJSJICQV-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.34
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 6394584
diphenylphosphinoselenoylmethyl-diphenyl-selanylidene-lambda5-phosphane
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CID 66766975
CID 66766975
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CID 175289814
diphenylphosphinic acid chloride
CID 53401992
dibromomethylidene(triphenyl)-λ5-phosphane
CID 11122938
phenylphosphonic acid;phosphane
CID 157219344
hydroxy-diphenyl-sulfanylidene-λ5-phosphane;hydrochloride
CID 172809471
CID 50986602
CID 50986602
hydroxy-phenyl-selanylidene-selenido-λ5-phosphane
CID 139152128

Frequently Asked Questions

What is the IUPAC name of CID 6394583?
The IUPAC name of CID 6394583 (CID 6394583) is not available.
What is the SMILES notation for CID 6394583?
The canonical SMILES for CID 6394583 is [H][Se]=P(CP(=[Se][H])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 6394583?
The InChIKey is BXUBIMKJSJICQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24P2Se2/c28-26(22-13-5-1-6-14-22,23-15-7-2-8-16-23)21-27(29,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,28-29H,21H2.
What are the key properties of CID 6394583?
CID 6394583 has a molecular weight of 544.34 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6394583 is sourced from PubChem (CID 6394583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).