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

C35H22N2O — CID 90297239

IUPAC2-dibenzofuran-2-yl-1,5-diphenylpyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2c(-c3ccc4oc5ccccc5c4c3)nn3c(-c4ccccc4)cc4ccccc4c23)cc1
InChIInChI=1S/C35H22N2O/c1-3-11-23(12-4-1)30-22-25-15-7-8-16-27(25)35-33(24-13-5-2-6-14-24)34(36-37(30)35)26-19-20-32-29(21-26)28-17-9-10-18-31(28)38-32/h1-22H
InChIKeySALHHLNSQYXIRC-UHFFFAOYSA-N
MW486.57 g/mol
LogP9.39
Rot. Bonds3

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

2-dibenzofuran-2-yl-1,5-diphenylpyrazolo[5,1-a]isoquinoline (PubChem CID 90297239) has the molecular formula C35H22N2O and a molecular weight of 486.57 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-1,5-diphenylpyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-1,5-diphenylpyrazolo[5,1-a]isoquinoline
PubChem CID90297239
Molecular FormulaC35H22N2O
Molecular Weight486.57 g/mol
Exact Mass486.17
IUPAC Name2-dibenzofuran-2-yl-1,5-diphenylpyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2c(-c3ccc4oc5ccccc5c4c3)nn3c(-c4ccccc4)cc4ccccc4c23)cc1
InChIInChI=1S/C35H22N2O/c1-3-11-23(12-4-1)30-22-25-15-7-8-16-27(25)35-33(24-13-5-2-6-14-24)34(36-37(30)35)26-19-20-32-29(21-26)28-17-9-10-18-31(28)38-32/h1-22H
InChIKeySALHHLNSQYXIRC-UHFFFAOYSA-N
XLogP9.39
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.57
LogP ≤ 59.39
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-1,5-diphenylpyrazolo[5,1-a]isoquinoline?
The IUPAC name of 2-dibenzofuran-2-yl-1,5-diphenylpyrazolo[5,1-a]isoquinoline (CID 90297239) is 2-dibenzofuran-2-yl-1,5-diphenylpyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 2-dibenzofuran-2-yl-1,5-diphenylpyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 2-dibenzofuran-2-yl-1,5-diphenylpyrazolo[5,1-a]isoquinoline is c1ccc(-c2c(-c3ccc4oc5ccccc5c4c3)nn3c(-c4ccccc4)cc4ccccc4c23)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-1,5-diphenylpyrazolo[5,1-a]isoquinoline?
The InChIKey is SALHHLNSQYXIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N2O/c1-3-11-23(12-4-1)30-22-25-15-7-8-16-27(25)35-33(24-13-5-2-6-14-24)34(36-37(30)35)26-19-20-32-29(21-26)28-17-9-10-18-31(28)38-32/h1-22H.
What are the key properties of 2-dibenzofuran-2-yl-1,5-diphenylpyrazolo[5,1-a]isoquinoline?
2-dibenzofuran-2-yl-1,5-diphenylpyrazolo[5,1-a]isoquinoline has a molecular weight of 486.57 g/mol, XLogP of 9.39, 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-1,5-diphenylpyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 90297239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).