3-(4-fluorophenyl)benzo[f]quinolin-4-ium

C19H13FN+ — CID 140780584

IUPAC3-(4-fluorophenyl)benzo[f]quinolin-4-ium
SMILESFc1ccc(-c2ccc3c(ccc4ccccc43)[nH+]2)cc1
InChIInChI=1S/C19H12FN/c20-15-8-5-14(6-9-15)18-12-10-17-16-4-2-1-3-13(16)7-11-19(17)21-18/h1-12H/p+1
InChIKeyMHVIIBWXJKXPJG-UHFFFAOYSA-O
MW274.32 g/mol
LogP4.61
Rot. Bonds1

About 3-(4-fluorophenyl)benzo[f]quinolin-4-ium

3-(4-fluorophenyl)benzo[f]quinolin-4-ium (PubChem CID 140780584) has the molecular formula C19H13FN+ and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)benzo[f]quinolin-4-ium.

Molecular Properties

Compound Name3-(4-fluorophenyl)benzo[f]quinolin-4-ium
PubChem CID140780584
Molecular FormulaC19H13FN+
Molecular Weight274.32 g/mol
Exact Mass274.10
IUPAC Name3-(4-fluorophenyl)benzo[f]quinolin-4-ium
SMILESFc1ccc(-c2ccc3c(ccc4ccccc43)[nH+]2)cc1
InChIInChI=1S/C19H12FN/c20-15-8-5-14(6-9-15)18-12-10-17-16-4-2-1-3-13(16)7-11-19(17)21-18/h1-12H/p+1
InChIKeyMHVIIBWXJKXPJG-UHFFFAOYSA-O
XLogP4.61
TPSA14.14 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)benzo[g][1]benzofuran
CID 100994314
2-[1-(4-fluorophenyl)naphthalen-2-yl]triphenylene
CID 142593010
chrysene;iron
CID 157379031
phenanthrene;phosphane
CID 161431298
phenanthrene;sulfane
CID 159172584
2-naphthalen-2-ylphenanthrene
CID 90738367
ethene;picene
CID 175286520
ethoxyethane;phenanthrene
CID 174652079
10-[4-(4-fluorophenyl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran
CID 170374860
2-[9,10-bis(4-fluorophenyl)anthracen-2-yl]benzo[h]quinoline
CID 58323802
12-(4-fluorophenyl)-2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-10-one
CID 102049313
2,7-di(phenanthren-2-yl)triphenylene
CID 58160997

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)benzo[f]quinolin-4-ium?
The IUPAC name of 3-(4-fluorophenyl)benzo[f]quinolin-4-ium (CID 140780584) is 3-(4-fluorophenyl)benzo[f]quinolin-4-ium.
What is the SMILES notation for 3-(4-fluorophenyl)benzo[f]quinolin-4-ium?
The canonical SMILES for 3-(4-fluorophenyl)benzo[f]quinolin-4-ium is Fc1ccc(-c2ccc3c(ccc4ccccc43)[nH+]2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)benzo[f]quinolin-4-ium?
The InChIKey is MHVIIBWXJKXPJG-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H12FN/c20-15-8-5-14(6-9-15)18-12-10-17-16-4-2-1-3-13(16)7-11-19(17)21-18/h1-12H/p+1.
What are the key properties of 3-(4-fluorophenyl)benzo[f]quinolin-4-ium?
3-(4-fluorophenyl)benzo[f]quinolin-4-ium has a molecular weight of 274.32 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)benzo[f]quinolin-4-ium is sourced from PubChem (CID 140780584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).