1-bromo-4-[[(4-bromophenyl)methyldiselanyl]methyl]benzene

C14H12Br2Se2 — CID 10028842

IUPAC1-bromo-4-[[(4-bromophenyl)methyldiselanyl]methyl]benzene
SMILESBrc1ccc(C[Se][Se]Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H12Br2Se2/c15-13-5-1-11(2-6-13)9-17-18-10-12-3-7-14(16)8-4-12/h1-8H,9-10H2
InChIKeyGVPSRDAKZNBOLR-UHFFFAOYSA-N
MW497.98 g/mol
LogP4.24
Rot. Bonds5

About 1-bromo-4-[[(4-bromophenyl)methyldiselanyl]methyl]benzene

1-bromo-4-[[(4-bromophenyl)methyldiselanyl]methyl]benzene (PubChem CID 10028842) has the molecular formula C14H12Br2Se2 and a molecular weight of 497.98 g/mol. Its IUPAC name is 1-bromo-4-[[(4-bromophenyl)methyldiselanyl]methyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[[(4-bromophenyl)methyldiselanyl]methyl]benzene
PubChem CID10028842
Molecular FormulaC14H12Br2Se2
Molecular Weight497.98 g/mol
Exact Mass497.76
IUPAC Name1-bromo-4-[[(4-bromophenyl)methyldiselanyl]methyl]benzene
SMILESBrc1ccc(C[Se][Se]Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H12Br2Se2/c15-13-5-1-11(2-6-13)9-17-18-10-12-3-7-14(16)8-4-12/h1-8H,9-10H2
InChIKeyGVPSRDAKZNBOLR-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.98
LogP ≤ 54.24
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'}

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Related Compounds

4-Bromotoluene
CID 7805
4-Bromobiphenyl
CID 7101
3-Bromobiphenyl
CID 16449
Pbb 77
CID 107953
4,4'-Dibromobiphenyl
CID 7110
2,2'-Dibromobiphenyl
CID 83060
4-Bromobenzyl bromide
CID 68527
3,5-Dibromobiphenyl
CID 3014933
2-Bromobiphenyl
CID 16329
3,3'-Dibromobiphenyl
CID 153987
3,4',5-Tribromobiphenyl
CID 155722
1-Bromo-4-ethylbenzene
CID 15313

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[[(4-bromophenyl)methyldiselanyl]methyl]benzene?
The IUPAC name of 1-bromo-4-[[(4-bromophenyl)methyldiselanyl]methyl]benzene (CID 10028842) is 1-bromo-4-[[(4-bromophenyl)methyldiselanyl]methyl]benzene.
What is the SMILES notation for 1-bromo-4-[[(4-bromophenyl)methyldiselanyl]methyl]benzene?
The canonical SMILES for 1-bromo-4-[[(4-bromophenyl)methyldiselanyl]methyl]benzene is Brc1ccc(C[Se][Se]Cc2ccc(Br)cc2)cc1.
What is the InChIKey of 1-bromo-4-[[(4-bromophenyl)methyldiselanyl]methyl]benzene?
The InChIKey is GVPSRDAKZNBOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2Se2/c15-13-5-1-11(2-6-13)9-17-18-10-12-3-7-14(16)8-4-12/h1-8H,9-10H2.
What are the key properties of 1-bromo-4-[[(4-bromophenyl)methyldiselanyl]methyl]benzene?
1-bromo-4-[[(4-bromophenyl)methyldiselanyl]methyl]benzene has a molecular weight of 497.98 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[[(4-bromophenyl)methyldiselanyl]methyl]benzene is sourced from PubChem (CID 10028842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).