2-(3-bromophenyl)-4-phenylquinoline

C21H14BrN — CID 30331091

IUPAC2-(3-bromophenyl)-4-phenylquinoline
SMILESBrc1cccc(-c2cc(-c3ccccc3)c3ccccc3n2)c1
InChIInChI=1S/C21H14BrN/c22-17-10-6-9-16(13-17)21-14-19(15-7-2-1-3-8-15)18-11-4-5-12-20(18)23-21/h1-14H
InChIKeyAARGIKWFNRESSL-UHFFFAOYSA-N
MW360.25 g/mol
LogP6.33
Rot. Bonds2

About 2-(3-bromophenyl)-4-phenylquinoline

2-(3-bromophenyl)-4-phenylquinoline (PubChem CID 30331091) has the molecular formula C21H14BrN and a molecular weight of 360.25 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-phenylquinoline.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-phenylquinoline
PubChem CID30331091
Molecular FormulaC21H14BrN
Molecular Weight360.25 g/mol
Exact Mass359.03
IUPAC Name2-(3-bromophenyl)-4-phenylquinoline
SMILESBrc1cccc(-c2cc(-c3ccccc3)c3ccccc3n2)c1
InChIInChI=1S/C21H14BrN/c22-17-10-6-9-16(13-17)21-14-19(15-7-2-1-3-8-15)18-11-4-5-12-20(18)23-21/h1-14H
InChIKeyAARGIKWFNRESSL-UHFFFAOYSA-N
XLogP6.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.25
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-phenylquinoline?
The IUPAC name of 2-(3-bromophenyl)-4-phenylquinoline (CID 30331091) is 2-(3-bromophenyl)-4-phenylquinoline.
What is the SMILES notation for 2-(3-bromophenyl)-4-phenylquinoline?
The canonical SMILES for 2-(3-bromophenyl)-4-phenylquinoline is Brc1cccc(-c2cc(-c3ccccc3)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-bromophenyl)-4-phenylquinoline?
The InChIKey is AARGIKWFNRESSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrN/c22-17-10-6-9-16(13-17)21-14-19(15-7-2-1-3-8-15)18-11-4-5-12-20(18)23-21/h1-14H.
What are the key properties of 2-(3-bromophenyl)-4-phenylquinoline?
2-(3-bromophenyl)-4-phenylquinoline has a molecular weight of 360.25 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-phenylquinoline is sourced from PubChem (CID 30331091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).