1-(4-bromophenyl)-3-pyridin-4-ylbenzo[f]quinoline

C24H15BrN2 — CID 2248141

IUPAC1-(4-bromophenyl)-3-pyridin-4-ylbenzo[f]quinoline
SMILESBrc1ccc(-c2cc(-c3ccncc3)nc3ccc4ccccc4c23)cc1
InChIInChI=1S/C24H15BrN2/c25-19-8-5-17(6-9-19)21-15-23(18-11-13-26-14-12-18)27-22-10-7-16-3-1-2-4-20(16)24(21)22/h1-15H
InChIKeySCWZDDORZLGVIA-UHFFFAOYSA-N
MW411.30 g/mol
LogP6.88
Rot. Bonds2

About 1-(4-bromophenyl)-3-pyridin-4-ylbenzo[f]quinoline

1-(4-bromophenyl)-3-pyridin-4-ylbenzo[f]quinoline (PubChem CID 2248141) has the molecular formula C24H15BrN2 and a molecular weight of 411.30 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-pyridin-4-ylbenzo[f]quinoline.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-pyridin-4-ylbenzo[f]quinoline
PubChem CID2248141
Molecular FormulaC24H15BrN2
Molecular Weight411.30 g/mol
Exact Mass410.04
IUPAC Name1-(4-bromophenyl)-3-pyridin-4-ylbenzo[f]quinoline
SMILESBrc1ccc(-c2cc(-c3ccncc3)nc3ccc4ccccc4c23)cc1
InChIInChI=1S/C24H15BrN2/c25-19-8-5-17(6-9-19)21-15-23(18-11-13-26-14-12-18)27-22-10-7-16-3-1-2-4-20(16)24(21)22/h1-15H
InChIKeySCWZDDORZLGVIA-UHFFFAOYSA-N
XLogP6.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.30
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-3-pyridin-4-ylbenzo[f]quinoline chloride
CID 53347208
1-[4-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)naphthalen-1-yl]phenyl]-3-phenylbenzo[f]quinoline
CID 146185478
3-[4-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-1-phenylbenzo[f]quinoline
CID 146185318
3-(4-bromophenyl)-1-(3-chlorophenyl)benzo[f]quinoline
CID 44613979
1,3-bis(4-chlorophenyl)benzo[f]quinoline
CID 17201997
1,3-bis(4-methoxyphenyl)benzo[f]quinoline
CID 17201995
1-phenyl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[f]quinoline
CID 146185311
3-(4-fluorophenyl)-1-phenylbenzo[f]quinoline
CID 17202000
1-[4-(4-isoquinolin-5-ylphenyl)phenyl]-3-phenylbenzo[f]quinoline
CID 138643909
3-phenyl-1-[4-[4-(4-pyridin-3-yl-6-pyridin-4-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzo[f]quinoline
CID 146185651
1-phenyl-3-pyridin-3-ylbenzo[f]quinoline
CID 2248804
3-(4-bromophenyl)-1-[2-(4-bromophenyl)ethenyl]benzo[f]quinoline
CID 3980990

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-pyridin-4-ylbenzo[f]quinoline?
The IUPAC name of 1-(4-bromophenyl)-3-pyridin-4-ylbenzo[f]quinoline (CID 2248141) is 1-(4-bromophenyl)-3-pyridin-4-ylbenzo[f]quinoline.
What is the SMILES notation for 1-(4-bromophenyl)-3-pyridin-4-ylbenzo[f]quinoline?
The canonical SMILES for 1-(4-bromophenyl)-3-pyridin-4-ylbenzo[f]quinoline is Brc1ccc(-c2cc(-c3ccncc3)nc3ccc4ccccc4c23)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-pyridin-4-ylbenzo[f]quinoline?
The InChIKey is SCWZDDORZLGVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BrN2/c25-19-8-5-17(6-9-19)21-15-23(18-11-13-26-14-12-18)27-22-10-7-16-3-1-2-4-20(16)24(21)22/h1-15H.
What are the key properties of 1-(4-bromophenyl)-3-pyridin-4-ylbenzo[f]quinoline?
1-(4-bromophenyl)-3-pyridin-4-ylbenzo[f]quinoline has a molecular weight of 411.30 g/mol, XLogP of 6.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-pyridin-4-ylbenzo[f]quinoline is sourced from PubChem (CID 2248141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).