6-bromo-2-[3,5-di(quinolin-4-yl)phenyl]quinoline

C33H20BrN3 — CID 129208853

IUPAC6-bromo-2-[3,5-di(quinolin-4-yl)phenyl]quinoline
SMILESBrc1ccc2nc(-c3cc(-c4ccnc5ccccc45)cc(-c4ccnc5ccccc45)c3)ccc2c1
InChIInChI=1S/C33H20BrN3/c34-25-10-12-30-21(20-25)9-11-31(37-30)24-18-22(26-13-15-35-32-7-3-1-5-28(26)32)17-23(19-24)27-14-16-36-33-8-4-2-6-29(27)33/h1-20H
InChIKeyQSUVXSUYPXFLGA-UHFFFAOYSA-N
MW538.45 g/mol
LogP9.09
Rot. Bonds3

About 6-bromo-2-[3,5-di(quinolin-4-yl)phenyl]quinoline

6-bromo-2-[3,5-di(quinolin-4-yl)phenyl]quinoline (PubChem CID 129208853) has the molecular formula C33H20BrN3 and a molecular weight of 538.45 g/mol. Its IUPAC name is 6-bromo-2-[3,5-di(quinolin-4-yl)phenyl]quinoline.

Molecular Properties

Compound Name6-bromo-2-[3,5-di(quinolin-4-yl)phenyl]quinoline
PubChem CID129208853
Molecular FormulaC33H20BrN3
Molecular Weight538.45 g/mol
Exact Mass537.08
IUPAC Name6-bromo-2-[3,5-di(quinolin-4-yl)phenyl]quinoline
SMILESBrc1ccc2nc(-c3cc(-c4ccnc5ccccc45)cc(-c4ccnc5ccccc45)c3)ccc2c1
InChIInChI=1S/C33H20BrN3/c34-25-10-12-30-21(20-25)9-11-31(37-30)24-18-22(26-13-15-35-32-7-3-1-5-28(26)32)17-23(19-24)27-14-16-36-33-8-4-2-6-29(27)33/h1-20H
InChIKeyQSUVXSUYPXFLGA-UHFFFAOYSA-N
XLogP9.09
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.45
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[3,5-di(quinolin-4-yl)phenyl]quinoline?
The IUPAC name of 6-bromo-2-[3,5-di(quinolin-4-yl)phenyl]quinoline (CID 129208853) is 6-bromo-2-[3,5-di(quinolin-4-yl)phenyl]quinoline.
What is the SMILES notation for 6-bromo-2-[3,5-di(quinolin-4-yl)phenyl]quinoline?
The canonical SMILES for 6-bromo-2-[3,5-di(quinolin-4-yl)phenyl]quinoline is Brc1ccc2nc(-c3cc(-c4ccnc5ccccc45)cc(-c4ccnc5ccccc45)c3)ccc2c1.
What is the InChIKey of 6-bromo-2-[3,5-di(quinolin-4-yl)phenyl]quinoline?
The InChIKey is QSUVXSUYPXFLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20BrN3/c34-25-10-12-30-21(20-25)9-11-31(37-30)24-18-22(26-13-15-35-32-7-3-1-5-28(26)32)17-23(19-24)27-14-16-36-33-8-4-2-6-29(27)33/h1-20H.
What are the key properties of 6-bromo-2-[3,5-di(quinolin-4-yl)phenyl]quinoline?
6-bromo-2-[3,5-di(quinolin-4-yl)phenyl]quinoline has a molecular weight of 538.45 g/mol, XLogP of 9.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[3,5-di(quinolin-4-yl)phenyl]quinoline is sourced from PubChem (CID 129208853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).