3-(4-fluorophenyl)-1-phenylbenzo[f]quinoline

C25H16FN — CID 17202000

IUPAC3-(4-fluorophenyl)-1-phenylbenzo[f]quinoline
SMILESFc1ccc(-c2cc(-c3ccccc3)c3c(ccc4ccccc43)n2)cc1
InChIInChI=1S/C25H16FN/c26-20-13-10-19(11-14-20)24-16-22(17-6-2-1-3-7-17)25-21-9-5-4-8-18(21)12-15-23(25)27-24/h1-16H
InChIKeyPIGUYGXWAKZSIV-UHFFFAOYSA-N
MW349.41 g/mol
LogP6.86
Rot. Bonds2

About 3-(4-fluorophenyl)-1-phenylbenzo[f]quinoline

3-(4-fluorophenyl)-1-phenylbenzo[f]quinoline (PubChem CID 17202000) has the molecular formula C25H16FN and a molecular weight of 349.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-phenylbenzo[f]quinoline.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-phenylbenzo[f]quinoline
PubChem CID17202000
Molecular FormulaC25H16FN
Molecular Weight349.41 g/mol
Exact Mass349.13
IUPAC Name3-(4-fluorophenyl)-1-phenylbenzo[f]quinoline
SMILESFc1ccc(-c2cc(-c3ccccc3)c3c(ccc4ccccc43)n2)cc1
InChIInChI=1S/C25H16FN/c26-20-13-10-19(11-14-20)24-16-22(17-6-2-1-3-7-17)25-21-9-5-4-8-18(21)12-15-23(25)27-24/h1-16H
InChIKeyPIGUYGXWAKZSIV-UHFFFAOYSA-N
XLogP6.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.41
LogP ≤ 56.86
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-phenyl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[f]quinoline
CID 146185311
1-phenyl-3-pyridin-4-ylbenzo[f]quinoline chloride
CID 53347208
3-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)benzo[f]quinoline
CID 44613761
1,3-bis(4-chlorophenyl)benzo[f]quinoline
CID 17201997
3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[f]quinoline
CID 146185305
3-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline
CID 138644076
1-phenyl-3-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[f]quinoline
CID 146185499
3-phenyl-1-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[f]quinoline
CID 146185375
3-phenyl-1-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzo[f]quinoline
CID 138643749
1-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline
CID 138644120
1-phenyl-3-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[f]quinoline
CID 146185379
3-(4-carbazol-9-ylphenyl)-1-phenylbenzo[f]quinoline
CID 138643776

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-phenylbenzo[f]quinoline?
The IUPAC name of 3-(4-fluorophenyl)-1-phenylbenzo[f]quinoline (CID 17202000) is 3-(4-fluorophenyl)-1-phenylbenzo[f]quinoline.
What is the SMILES notation for 3-(4-fluorophenyl)-1-phenylbenzo[f]quinoline?
The canonical SMILES for 3-(4-fluorophenyl)-1-phenylbenzo[f]quinoline is Fc1ccc(-c2cc(-c3ccccc3)c3c(ccc4ccccc43)n2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-phenylbenzo[f]quinoline?
The InChIKey is PIGUYGXWAKZSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16FN/c26-20-13-10-19(11-14-20)24-16-22(17-6-2-1-3-7-17)25-21-9-5-4-8-18(21)12-15-23(25)27-24/h1-16H.
What are the key properties of 3-(4-fluorophenyl)-1-phenylbenzo[f]quinoline?
3-(4-fluorophenyl)-1-phenylbenzo[f]quinoline has a molecular weight of 349.41 g/mol, XLogP of 6.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-phenylbenzo[f]quinoline is sourced from PubChem (CID 17202000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).