(4-bromophenyl)-diphenylselanium

C18H14BrSe+ — CID 172813116

IUPAC(4-bromophenyl)-diphenylselanium
SMILESBrc1ccc([Se+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H14BrSe/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H/q+1
InChIKeySLLPGQPFABIQTF-UHFFFAOYSA-N
MW389.17 g/mol
LogP2.97
Rot. Bonds3

About (4-bromophenyl)-diphenylselanium

(4-bromophenyl)-diphenylselanium (PubChem CID 172813116) has the molecular formula C18H14BrSe+ and a molecular weight of 389.17 g/mol. Its IUPAC name is (4-bromophenyl)-diphenylselanium.

Molecular Properties

Compound Name(4-bromophenyl)-diphenylselanium
PubChem CID172813116
Molecular FormulaC18H14BrSe+
Molecular Weight389.17 g/mol
Exact Mass388.94
IUPAC Name(4-bromophenyl)-diphenylselanium
SMILESBrc1ccc([Se+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H14BrSe/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H/q+1
InChIKeySLLPGQPFABIQTF-UHFFFAOYSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.17
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-diphenylselanium?
The IUPAC name of (4-bromophenyl)-diphenylselanium (CID 172813116) is (4-bromophenyl)-diphenylselanium.
What is the SMILES notation for (4-bromophenyl)-diphenylselanium?
The canonical SMILES for (4-bromophenyl)-diphenylselanium is Brc1ccc([Se+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-bromophenyl)-diphenylselanium?
The InChIKey is SLLPGQPFABIQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrSe/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H/q+1.
What are the key properties of (4-bromophenyl)-diphenylselanium?
(4-bromophenyl)-diphenylselanium has a molecular weight of 389.17 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-diphenylselanium is sourced from PubChem (CID 172813116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).