2-(4-bromophenyl)-3H-benzo[de]quinoline

C18H12BrN — CID 58370913

IUPAC2-(4-bromophenyl)-3H-benzo[de]quinoline
SMILESBrc1ccc(C2=Nc3cccc4cccc(c34)C2)cc1
InChIInChI=1S/C18H12BrN/c19-15-9-7-12(8-10-15)17-11-14-5-1-3-13-4-2-6-16(20-17)18(13)14/h1-10H,11H2
InChIKeyFLLMSHLESJUFQO-UHFFFAOYSA-N
MW322.21 g/mol
LogP5.28
Rot. Bonds1

About 2-(4-bromophenyl)-3H-benzo[de]quinoline

2-(4-bromophenyl)-3H-benzo[de]quinoline (PubChem CID 58370913) has the molecular formula C18H12BrN and a molecular weight of 322.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3H-benzo[de]quinoline.

Molecular Properties

Compound Name2-(4-bromophenyl)-3H-benzo[de]quinoline
PubChem CID58370913
Molecular FormulaC18H12BrN
Molecular Weight322.21 g/mol
Exact Mass321.02
IUPAC Name2-(4-bromophenyl)-3H-benzo[de]quinoline
SMILESBrc1ccc(C2=Nc3cccc4cccc(c34)C2)cc1
InChIInChI=1S/C18H12BrN/c19-15-9-7-12(8-10-15)17-11-14-5-1-3-13-4-2-6-16(20-17)18(13)14/h1-10H,11H2
InChIKeyFLLMSHLESJUFQO-UHFFFAOYSA-N
XLogP5.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.21
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3H-benzo[de]quinoline?
The IUPAC name of 2-(4-bromophenyl)-3H-benzo[de]quinoline (CID 58370913) is 2-(4-bromophenyl)-3H-benzo[de]quinoline.
What is the SMILES notation for 2-(4-bromophenyl)-3H-benzo[de]quinoline?
The canonical SMILES for 2-(4-bromophenyl)-3H-benzo[de]quinoline is Brc1ccc(C2=Nc3cccc4cccc(c34)C2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3H-benzo[de]quinoline?
The InChIKey is FLLMSHLESJUFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN/c19-15-9-7-12(8-10-15)17-11-14-5-1-3-13-4-2-6-16(20-17)18(13)14/h1-10H,11H2.
What are the key properties of 2-(4-bromophenyl)-3H-benzo[de]quinoline?
2-(4-bromophenyl)-3H-benzo[de]quinoline has a molecular weight of 322.21 g/mol, XLogP of 5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3H-benzo[de]quinoline is sourced from PubChem (CID 58370913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).