phenylselanylbenzene;dihydrochloride

C24H22Cl2Se2 — CID 173104242

IUPACphenylselanylbenzene;dihydrochloride
SMILESCl.Cl.c1ccc([Se]c2ccccc2)cc1.c1ccc([Se]c2ccccc2)cc1
InChIInChI=1S/2C12H10Se.2ClH/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;/h2*1-10H;2*1H
InChIKeyCOJWDSOYSBEFHT-UHFFFAOYSA-N
MW539.27 g/mol
LogP3.53
Rot. Bonds4

About phenylselanylbenzene;dihydrochloride

phenylselanylbenzene;dihydrochloride (PubChem CID 173104242) has the molecular formula C24H22Cl2Se2 and a molecular weight of 539.27 g/mol. Its IUPAC name is phenylselanylbenzene;dihydrochloride.

Molecular Properties

Compound Namephenylselanylbenzene;dihydrochloride
PubChem CID173104242
Molecular FormulaC24H22Cl2Se2
Molecular Weight539.27 g/mol
Exact Mass539.94
IUPAC Namephenylselanylbenzene;dihydrochloride
SMILESCl.Cl.c1ccc([Se]c2ccccc2)cc1.c1ccc([Se]c2ccccc2)cc1
InChIInChI=1S/2C12H10Se.2ClH/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;/h2*1-10H;2*1H
InChIKeyCOJWDSOYSBEFHT-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.27
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

phenylselanylbenzene;dihydrochloride
CID 87206847
formaldehyde;phenylselanylbenzene
CID 174430151
2-phenylselanylnaphthalene
CID 10062344
1,2,3,4,5-pentafluoro-6-phenylselanylbenzene
CID 12721561
hydrogen peroxide;(phenyldiselanyl)benzene
CID 161157023
1-chloro-2-phenylselanylbenzene
CID 11054651
2,4-bis(phenylselanyl)phenol
CID 10883965
phenyl selenohypochlorite
CID 21928
phenylselanylphosphane
CID 141347501
1-(4-phenylselanylphenyl)propan-1-one
CID 18984785
1-phenylselanylnaphthalene
CID 11196823
1-phenylselanyl-3-(trifluoromethoxy)benzene
CID 71761676

Frequently Asked Questions

What is the IUPAC name of phenylselanylbenzene;dihydrochloride?
The IUPAC name of phenylselanylbenzene;dihydrochloride (CID 173104242) is phenylselanylbenzene;dihydrochloride.
What is the SMILES notation for phenylselanylbenzene;dihydrochloride?
The canonical SMILES for phenylselanylbenzene;dihydrochloride is Cl.Cl.c1ccc([Se]c2ccccc2)cc1.c1ccc([Se]c2ccccc2)cc1.
What is the InChIKey of phenylselanylbenzene;dihydrochloride?
The InChIKey is COJWDSOYSBEFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H10Se.2ClH/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;/h2*1-10H;2*1H.
What are the key properties of phenylselanylbenzene;dihydrochloride?
phenylselanylbenzene;dihydrochloride has a molecular weight of 539.27 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phenylselanylbenzene;dihydrochloride is sourced from PubChem (CID 173104242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).