2-dibenzofuran-2-yl-1-phenyl-5-thiophen-2-ylpyrazolo[5,1-a]isoquinoline

C33H20N2OS — CID 90297782

IUPAC2-dibenzofuran-2-yl-1-phenyl-5-thiophen-2-ylpyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2c(-c3ccc4oc5ccccc5c4c3)nn3c(-c4cccs4)cc4ccccc4c23)cc1
InChIInChI=1S/C33H20N2OS/c1-2-9-21(10-3-1)31-32(23-16-17-29-26(19-23)25-13-6-7-14-28(25)36-29)34-35-27(30-15-8-18-37-30)20-22-11-4-5-12-24(22)33(31)35/h1-20H
InChIKeyJLORYUHACUQMGA-UHFFFAOYSA-N
MW492.60 g/mol
LogP9.45
Rot. Bonds3

About 2-dibenzofuran-2-yl-1-phenyl-5-thiophen-2-ylpyrazolo[5,1-a]isoquinoline

2-dibenzofuran-2-yl-1-phenyl-5-thiophen-2-ylpyrazolo[5,1-a]isoquinoline (PubChem CID 90297782) has the molecular formula C33H20N2OS and a molecular weight of 492.60 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-1-phenyl-5-thiophen-2-ylpyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-1-phenyl-5-thiophen-2-ylpyrazolo[5,1-a]isoquinoline
PubChem CID90297782
Molecular FormulaC33H20N2OS
Molecular Weight492.60 g/mol
Exact Mass492.13
IUPAC Name2-dibenzofuran-2-yl-1-phenyl-5-thiophen-2-ylpyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2c(-c3ccc4oc5ccccc5c4c3)nn3c(-c4cccs4)cc4ccccc4c23)cc1
InChIInChI=1S/C33H20N2OS/c1-2-9-21(10-3-1)31-32(23-16-17-29-26(19-23)25-13-6-7-14-28(25)36-29)34-35-27(30-15-8-18-37-30)20-22-11-4-5-12-24(22)33(31)35/h1-20H
InChIKeyJLORYUHACUQMGA-UHFFFAOYSA-N
XLogP9.45
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.60
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-1-phenyl-5-thiophen-2-ylpyrazolo[5,1-a]isoquinoline?
The IUPAC name of 2-dibenzofuran-2-yl-1-phenyl-5-thiophen-2-ylpyrazolo[5,1-a]isoquinoline (CID 90297782) is 2-dibenzofuran-2-yl-1-phenyl-5-thiophen-2-ylpyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 2-dibenzofuran-2-yl-1-phenyl-5-thiophen-2-ylpyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 2-dibenzofuran-2-yl-1-phenyl-5-thiophen-2-ylpyrazolo[5,1-a]isoquinoline is c1ccc(-c2c(-c3ccc4oc5ccccc5c4c3)nn3c(-c4cccs4)cc4ccccc4c23)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-1-phenyl-5-thiophen-2-ylpyrazolo[5,1-a]isoquinoline?
The InChIKey is JLORYUHACUQMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20N2OS/c1-2-9-21(10-3-1)31-32(23-16-17-29-26(19-23)25-13-6-7-14-28(25)36-29)34-35-27(30-15-8-18-37-30)20-22-11-4-5-12-24(22)33(31)35/h1-20H.
What are the key properties of 2-dibenzofuran-2-yl-1-phenyl-5-thiophen-2-ylpyrazolo[5,1-a]isoquinoline?
2-dibenzofuran-2-yl-1-phenyl-5-thiophen-2-ylpyrazolo[5,1-a]isoquinoline has a molecular weight of 492.60 g/mol, XLogP of 9.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-1-phenyl-5-thiophen-2-ylpyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 90297782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).