2-dibenzofuran-2-yl-9-fluoro-1,5-diphenylpyrazolo[5,1-a]isoquinoline

C35H21FN2O — CID 90297772

IUPAC2-dibenzofuran-2-yl-9-fluoro-1,5-diphenylpyrazolo[5,1-a]isoquinoline
SMILESFc1ccc2cc(-c3ccccc3)n3nc(-c4ccc5oc6ccccc6c5c4)c(-c4ccccc4)c3c2c1
InChIInChI=1S/C35H21FN2O/c36-26-17-15-24-20-30(22-9-3-1-4-10-22)38-35(28(24)21-26)33(23-11-5-2-6-12-23)34(37-38)25-16-18-32-29(19-25)27-13-7-8-14-31(27)39-32/h1-21H
InChIKeyJNCQQAMOYRTGCG-UHFFFAOYSA-N
MW504.56 g/mol
LogP9.53
Rot. Bonds3

About 2-dibenzofuran-2-yl-9-fluoro-1,5-diphenylpyrazolo[5,1-a]isoquinoline

2-dibenzofuran-2-yl-9-fluoro-1,5-diphenylpyrazolo[5,1-a]isoquinoline (PubChem CID 90297772) has the molecular formula C35H21FN2O and a molecular weight of 504.56 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-9-fluoro-1,5-diphenylpyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-9-fluoro-1,5-diphenylpyrazolo[5,1-a]isoquinoline
PubChem CID90297772
Molecular FormulaC35H21FN2O
Molecular Weight504.56 g/mol
Exact Mass504.16
IUPAC Name2-dibenzofuran-2-yl-9-fluoro-1,5-diphenylpyrazolo[5,1-a]isoquinoline
SMILESFc1ccc2cc(-c3ccccc3)n3nc(-c4ccc5oc6ccccc6c5c4)c(-c4ccccc4)c3c2c1
InChIInChI=1S/C35H21FN2O/c36-26-17-15-24-20-30(22-9-3-1-4-10-22)38-35(28(24)21-26)33(23-11-5-2-6-12-23)34(37-38)25-16-18-32-29(19-25)27-13-7-8-14-31(27)39-32/h1-21H
InChIKeyJNCQQAMOYRTGCG-UHFFFAOYSA-N
XLogP9.53
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.56
LogP ≤ 59.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-9-fluoro-1,5-diphenylpyrazolo[5,1-a]isoquinoline?
The IUPAC name of 2-dibenzofuran-2-yl-9-fluoro-1,5-diphenylpyrazolo[5,1-a]isoquinoline (CID 90297772) is 2-dibenzofuran-2-yl-9-fluoro-1,5-diphenylpyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 2-dibenzofuran-2-yl-9-fluoro-1,5-diphenylpyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 2-dibenzofuran-2-yl-9-fluoro-1,5-diphenylpyrazolo[5,1-a]isoquinoline is Fc1ccc2cc(-c3ccccc3)n3nc(-c4ccc5oc6ccccc6c5c4)c(-c4ccccc4)c3c2c1.
What is the InChIKey of 2-dibenzofuran-2-yl-9-fluoro-1,5-diphenylpyrazolo[5,1-a]isoquinoline?
The InChIKey is JNCQQAMOYRTGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21FN2O/c36-26-17-15-24-20-30(22-9-3-1-4-10-22)38-35(28(24)21-26)33(23-11-5-2-6-12-23)34(37-38)25-16-18-32-29(19-25)27-13-7-8-14-31(27)39-32/h1-21H.
What are the key properties of 2-dibenzofuran-2-yl-9-fluoro-1,5-diphenylpyrazolo[5,1-a]isoquinoline?
2-dibenzofuran-2-yl-9-fluoro-1,5-diphenylpyrazolo[5,1-a]isoquinoline has a molecular weight of 504.56 g/mol, XLogP of 9.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-9-fluoro-1,5-diphenylpyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 90297772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).