6-bromo-2-(4-bromophenyl)-4-phenylquinoline

C21H13Br2N — CID 634899

IUPAC6-bromo-2-(4-bromophenyl)-4-phenylquinoline
SMILESBrc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1
InChIInChI=1S/C21H13Br2N/c22-16-8-6-15(7-9-16)21-13-18(14-4-2-1-3-5-14)19-12-17(23)10-11-20(19)24-21/h1-13H
InChIKeyPXRVQOJGWRNAHW-UHFFFAOYSA-N
MW439.15 g/mol
LogP7.09
Rot. Bonds2

About 6-bromo-2-(4-bromophenyl)-4-phenylquinoline

6-bromo-2-(4-bromophenyl)-4-phenylquinoline (PubChem CID 634899) has the molecular formula C21H13Br2N and a molecular weight of 439.15 g/mol. Its IUPAC name is 6-bromo-2-(4-bromophenyl)-4-phenylquinoline.

Molecular Properties

Compound Name6-bromo-2-(4-bromophenyl)-4-phenylquinoline
PubChem CID634899
Molecular FormulaC21H13Br2N
Molecular Weight439.15 g/mol
Exact Mass436.94
IUPAC Name6-bromo-2-(4-bromophenyl)-4-phenylquinoline
SMILESBrc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1
InChIInChI=1S/C21H13Br2N/c22-16-8-6-15(7-9-16)21-13-18(14-4-2-1-3-5-14)19-12-17(23)10-11-20(19)24-21/h1-13H
InChIKeyPXRVQOJGWRNAHW-UHFFFAOYSA-N
XLogP7.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.15
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-bromophenyl)-4-phenylquinoline?
The IUPAC name of 6-bromo-2-(4-bromophenyl)-4-phenylquinoline (CID 634899) is 6-bromo-2-(4-bromophenyl)-4-phenylquinoline.
What is the SMILES notation for 6-bromo-2-(4-bromophenyl)-4-phenylquinoline?
The canonical SMILES for 6-bromo-2-(4-bromophenyl)-4-phenylquinoline is Brc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1.
What is the InChIKey of 6-bromo-2-(4-bromophenyl)-4-phenylquinoline?
The InChIKey is PXRVQOJGWRNAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Br2N/c22-16-8-6-15(7-9-16)21-13-18(14-4-2-1-3-5-14)19-12-17(23)10-11-20(19)24-21/h1-13H.
What are the key properties of 6-bromo-2-(4-bromophenyl)-4-phenylquinoline?
6-bromo-2-(4-bromophenyl)-4-phenylquinoline has a molecular weight of 439.15 g/mol, XLogP of 7.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-bromophenyl)-4-phenylquinoline is sourced from PubChem (CID 634899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).