11-fluoro-6-phenyl-[1]benzofuro[2,3-c]quinoline

C21H12FNO — CID 171722863

IUPAC11-fluoro-6-phenyl-[1]benzofuro[2,3-c]quinoline
SMILESFc1cccc2oc3c(-c4ccccc4)nc4ccccc4c3c12
InChIInChI=1S/C21H12FNO/c22-15-10-6-12-17-19(15)18-14-9-4-5-11-16(14)23-20(21(18)24-17)13-7-2-1-3-8-13/h1-12H
InChIKeyRYCOHKUBVYWUTJ-UHFFFAOYSA-N
MW313.33 g/mol
LogP5.94
Rot. Bonds1

About 11-fluoro-6-phenyl-[1]benzofuro[2,3-c]quinoline

11-fluoro-6-phenyl-[1]benzofuro[2,3-c]quinoline (PubChem CID 171722863) has the molecular formula C21H12FNO and a molecular weight of 313.33 g/mol. Its IUPAC name is 11-fluoro-6-phenyl-[1]benzofuro[2,3-c]quinoline.

Molecular Properties

Compound Name11-fluoro-6-phenyl-[1]benzofuro[2,3-c]quinoline
PubChem CID171722863
Molecular FormulaC21H12FNO
Molecular Weight313.33 g/mol
Exact Mass313.09
IUPAC Name11-fluoro-6-phenyl-[1]benzofuro[2,3-c]quinoline
SMILESFc1cccc2oc3c(-c4ccccc4)nc4ccccc4c3c12
InChIInChI=1S/C21H12FNO/c22-15-10-6-12-17-19(15)18-14-9-4-5-11-16(14)23-20(21(18)24-17)13-7-2-1-3-8-13/h1-12H
InChIKeyRYCOHKUBVYWUTJ-UHFFFAOYSA-N
XLogP5.94
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.33
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129085978
6-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 163447676
6-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129085845
10-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline
CID 163472733
6-[4-(4-dibenzofuran-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-c]quinoline
CID 163548746
6-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 157332504
1-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline
CID 149128758
9-fluoro-6-naphthalen-1-yl-[1]benzofuro[2,3-c]quinoline
CID 167354556
2-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)-4-(4-phenylphenyl)quinazoline
CID 171051285
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenyl-[1]benzofuro[3,2-c]quinoline
CID 152804973
8,10-dimethyl-6-phenyl-[1]benzofuro[2,3-c]quinoline
CID 167354961
6-[4-[4-(4-phenanthren-9-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 155019029

Frequently Asked Questions

What is the IUPAC name of 11-fluoro-6-phenyl-[1]benzofuro[2,3-c]quinoline?
The IUPAC name of 11-fluoro-6-phenyl-[1]benzofuro[2,3-c]quinoline (CID 171722863) is 11-fluoro-6-phenyl-[1]benzofuro[2,3-c]quinoline.
What is the SMILES notation for 11-fluoro-6-phenyl-[1]benzofuro[2,3-c]quinoline?
The canonical SMILES for 11-fluoro-6-phenyl-[1]benzofuro[2,3-c]quinoline is Fc1cccc2oc3c(-c4ccccc4)nc4ccccc4c3c12.
What is the InChIKey of 11-fluoro-6-phenyl-[1]benzofuro[2,3-c]quinoline?
The InChIKey is RYCOHKUBVYWUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12FNO/c22-15-10-6-12-17-19(15)18-14-9-4-5-11-16(14)23-20(21(18)24-17)13-7-2-1-3-8-13/h1-12H.
What are the key properties of 11-fluoro-6-phenyl-[1]benzofuro[2,3-c]quinoline?
11-fluoro-6-phenyl-[1]benzofuro[2,3-c]quinoline has a molecular weight of 313.33 g/mol, XLogP of 5.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-fluoro-6-phenyl-[1]benzofuro[2,3-c]quinoline is sourced from PubChem (CID 171722863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).