3-(4-bromophenyl)-1-(3-chlorophenyl)benzo[f]quinoline

C25H15BrClN — CID 44613979

IUPAC3-(4-bromophenyl)-1-(3-chlorophenyl)benzo[f]quinoline
SMILESClc1cccc(-c2cc(-c3ccc(Br)cc3)nc3ccc4ccccc4c23)c1
InChIInChI=1S/C25H15BrClN/c26-19-11-8-17(9-12-19)24-15-22(18-5-3-6-20(27)14-18)25-21-7-2-1-4-16(21)10-13-23(25)28-24/h1-15H
InChIKeyJGURMELFYVWQDY-UHFFFAOYSA-N
MW444.76 g/mol
LogP8.14
Rot. Bonds2

About 3-(4-bromophenyl)-1-(3-chlorophenyl)benzo[f]quinoline

3-(4-bromophenyl)-1-(3-chlorophenyl)benzo[f]quinoline (PubChem CID 44613979) has the molecular formula C25H15BrClN and a molecular weight of 444.76 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-(3-chlorophenyl)benzo[f]quinoline.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-(3-chlorophenyl)benzo[f]quinoline
PubChem CID44613979
Molecular FormulaC25H15BrClN
Molecular Weight444.76 g/mol
Exact Mass443.01
IUPAC Name3-(4-bromophenyl)-1-(3-chlorophenyl)benzo[f]quinoline
SMILESClc1cccc(-c2cc(-c3ccc(Br)cc3)nc3ccc4ccccc4c23)c1
InChIInChI=1S/C25H15BrClN/c26-19-11-8-17(9-12-19)24-15-22(18-5-3-6-20(27)14-18)25-21-7-2-1-4-16(21)10-13-23(25)28-24/h1-15H
InChIKeyJGURMELFYVWQDY-UHFFFAOYSA-N
XLogP8.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.76
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(4-chlorophenyl)benzo[f]quinoline
CID 17201997
1-(4-bromophenyl)-3-pyridin-4-ylbenzo[f]quinoline
CID 2248141
3-phenyl-1-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[f]quinoline
CID 146185541
3-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline
CID 138644076
1-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-3-phenylbenzo[f]quinoline
CID 146185511
3-(4-fluorophenyl)-1-phenylbenzo[f]quinoline
CID 17202000
1-phenyl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[f]quinoline
CID 146185311
3-phenyl-1-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[f]quinoline
CID 146185486
1-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-3-phenylbenzo[f]quinoline
CID 146185485
1-[3-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)naphthalen-1-yl]phenyl]-3-phenylbenzo[f]quinoline
CID 138643845
3-phenyl-1-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[f]quinoline
CID 146185375
3-(4-bromophenyl)-1-[2-(4-bromophenyl)ethenyl]benzo[f]quinoline
CID 3980990

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-(3-chlorophenyl)benzo[f]quinoline?
The IUPAC name of 3-(4-bromophenyl)-1-(3-chlorophenyl)benzo[f]quinoline (CID 44613979) is 3-(4-bromophenyl)-1-(3-chlorophenyl)benzo[f]quinoline.
What is the SMILES notation for 3-(4-bromophenyl)-1-(3-chlorophenyl)benzo[f]quinoline?
The canonical SMILES for 3-(4-bromophenyl)-1-(3-chlorophenyl)benzo[f]quinoline is Clc1cccc(-c2cc(-c3ccc(Br)cc3)nc3ccc4ccccc4c23)c1.
What is the InChIKey of 3-(4-bromophenyl)-1-(3-chlorophenyl)benzo[f]quinoline?
The InChIKey is JGURMELFYVWQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15BrClN/c26-19-11-8-17(9-12-19)24-15-22(18-5-3-6-20(27)14-18)25-21-7-2-1-4-16(21)10-13-23(25)28-24/h1-15H.
What are the key properties of 3-(4-bromophenyl)-1-(3-chlorophenyl)benzo[f]quinoline?
3-(4-bromophenyl)-1-(3-chlorophenyl)benzo[f]quinoline has a molecular weight of 444.76 g/mol, XLogP of 8.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-(3-chlorophenyl)benzo[f]quinoline is sourced from PubChem (CID 44613979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).