4-(5-fluoronaphthalen-2-yl)benzo[f]isoquinoline

C23H14FN — CID 162482672

IUPAC4-(5-fluoronaphthalen-2-yl)benzo[f]isoquinoline
SMILESFc1cccc2cc(-c3nccc4c3ccc3ccccc34)ccc12
InChIInChI=1S/C23H14FN/c24-22-7-3-5-16-14-17(9-10-19(16)22)23-21-11-8-15-4-1-2-6-18(15)20(21)12-13-25-23/h1-14H
InChIKeyYWSXCCOURHXUMG-UHFFFAOYSA-N
MW323.37 g/mol
LogP6.35
Rot. Bonds1

About 4-(5-fluoronaphthalen-2-yl)benzo[f]isoquinoline

4-(5-fluoronaphthalen-2-yl)benzo[f]isoquinoline (PubChem CID 162482672) has the molecular formula C23H14FN and a molecular weight of 323.37 g/mol. Its IUPAC name is 4-(5-fluoronaphthalen-2-yl)benzo[f]isoquinoline.

Molecular Properties

Compound Name4-(5-fluoronaphthalen-2-yl)benzo[f]isoquinoline
PubChem CID162482672
Molecular FormulaC23H14FN
Molecular Weight323.37 g/mol
Exact Mass323.11
IUPAC Name4-(5-fluoronaphthalen-2-yl)benzo[f]isoquinoline
SMILESFc1cccc2cc(-c3nccc4c3ccc3ccccc34)ccc12
InChIInChI=1S/C23H14FN/c24-22-7-3-5-16-14-17(9-10-19(16)22)23-21-11-8-15-4-1-2-6-18(15)20(21)12-13-25-23/h1-14H
InChIKeyYWSXCCOURHXUMG-UHFFFAOYSA-N
XLogP6.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.37
LogP ≤ 56.35
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

4-(4-anthracen-9-ylphenyl)benzo[f]isoquinoline
CID 157309790
8-fluoro-1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinoline
CID 177091467
4-[6-(15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-2-yl)naphthalen-2-yl]benzo[f]isoquinoline
CID 171057150
8-(4-methylphenyl)-1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinoline
CID 177091528
8-methyl-1-(3-methylphenyl)naphtho[2,1-f]isoquinoline
CID 118595089
trimethyl-[4-[1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinolin-8-yl]phenyl]silane
CID 177091525
4-[4-(difluoromethyl)naphthalen-2-yl]-8-methylbenzo[f]isoquinoline
CID 170520724
4-[4-(3-isocyanophenyl)-3-methylphenyl]benzo[f]isoquinoline
CID 140693665
1-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]isoquinoline
CID 122426440
8-methyl-1-phenylnaphtho[2,1-f]isoquinoline
CID 118595090
4-(4-tert-butylnaphthalen-2-yl)-8-(2,6-difluorophenyl)benzo[c][2,7]naphthyridine
CID 176751480
6-(3-tert-butyl-5-methylphenyl)-7-azapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5(10),6,8,12,15,17,19,21-undecaene
CID 171417966

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoronaphthalen-2-yl)benzo[f]isoquinoline?
The IUPAC name of 4-(5-fluoronaphthalen-2-yl)benzo[f]isoquinoline (CID 162482672) is 4-(5-fluoronaphthalen-2-yl)benzo[f]isoquinoline.
What is the SMILES notation for 4-(5-fluoronaphthalen-2-yl)benzo[f]isoquinoline?
The canonical SMILES for 4-(5-fluoronaphthalen-2-yl)benzo[f]isoquinoline is Fc1cccc2cc(-c3nccc4c3ccc3ccccc34)ccc12.
What is the InChIKey of 4-(5-fluoronaphthalen-2-yl)benzo[f]isoquinoline?
The InChIKey is YWSXCCOURHXUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FN/c24-22-7-3-5-16-14-17(9-10-19(16)22)23-21-11-8-15-4-1-2-6-18(15)20(21)12-13-25-23/h1-14H.
What are the key properties of 4-(5-fluoronaphthalen-2-yl)benzo[f]isoquinoline?
4-(5-fluoronaphthalen-2-yl)benzo[f]isoquinoline has a molecular weight of 323.37 g/mol, XLogP of 6.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoronaphthalen-2-yl)benzo[f]isoquinoline is sourced from PubChem (CID 162482672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).