6-bromo-2-(3-phenoxyphenyl)-4-phenylquinoline

C27H18BrNO — CID 134149458

IUPAC6-bromo-2-(3-phenoxyphenyl)-4-phenylquinoline
SMILESBrc1ccc2nc(-c3cccc(Oc4ccccc4)c3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C27H18BrNO/c28-21-14-15-26-25(17-21)24(19-8-3-1-4-9-19)18-27(29-26)20-10-7-13-23(16-20)30-22-11-5-2-6-12-22/h1-18H
InChIKeyMFOJQAIRVRXBSW-UHFFFAOYSA-N
MW452.35 g/mol
LogP8.12
Rot. Bonds4

About 6-bromo-2-(3-phenoxyphenyl)-4-phenylquinoline

6-bromo-2-(3-phenoxyphenyl)-4-phenylquinoline (PubChem CID 134149458) has the molecular formula C27H18BrNO and a molecular weight of 452.35 g/mol. Its IUPAC name is 6-bromo-2-(3-phenoxyphenyl)-4-phenylquinoline.

Molecular Properties

Compound Name6-bromo-2-(3-phenoxyphenyl)-4-phenylquinoline
PubChem CID134149458
Molecular FormulaC27H18BrNO
Molecular Weight452.35 g/mol
Exact Mass451.06
IUPAC Name6-bromo-2-(3-phenoxyphenyl)-4-phenylquinoline
SMILESBrc1ccc2nc(-c3cccc(Oc4ccccc4)c3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C27H18BrNO/c28-21-14-15-26-25(17-21)24(19-8-3-1-4-9-19)18-27(29-26)20-10-7-13-23(16-20)30-22-11-5-2-6-12-22/h1-18H
InChIKeyMFOJQAIRVRXBSW-UHFFFAOYSA-N
XLogP8.12
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.35
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3-phenoxyphenyl)-4-phenylquinoline?
The IUPAC name of 6-bromo-2-(3-phenoxyphenyl)-4-phenylquinoline (CID 134149458) is 6-bromo-2-(3-phenoxyphenyl)-4-phenylquinoline.
What is the SMILES notation for 6-bromo-2-(3-phenoxyphenyl)-4-phenylquinoline?
The canonical SMILES for 6-bromo-2-(3-phenoxyphenyl)-4-phenylquinoline is Brc1ccc2nc(-c3cccc(Oc4ccccc4)c3)cc(-c3ccccc3)c2c1.
What is the InChIKey of 6-bromo-2-(3-phenoxyphenyl)-4-phenylquinoline?
The InChIKey is MFOJQAIRVRXBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18BrNO/c28-21-14-15-26-25(17-21)24(19-8-3-1-4-9-19)18-27(29-26)20-10-7-13-23(16-20)30-22-11-5-2-6-12-22/h1-18H.
What are the key properties of 6-bromo-2-(3-phenoxyphenyl)-4-phenylquinoline?
6-bromo-2-(3-phenoxyphenyl)-4-phenylquinoline has a molecular weight of 452.35 g/mol, XLogP of 8.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-phenoxyphenyl)-4-phenylquinoline is sourced from PubChem (CID 134149458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).