2-(1-benzofuran-2-yl)-1-phenyl-5-(3-phenylnaphthalen-2-yl)pyrazolo[5,1-a]isoquinoline

C41H26N2O — CID 90297292

IUPAC2-(1-benzofuran-2-yl)-1-phenyl-5-(3-phenylnaphthalen-2-yl)pyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2cc3ccccc3cc2-c2cc3ccccc3c3c(-c4ccccc4)c(-c4cc5ccccc5o4)nn23)cc1
InChIInChI=1S/C41H26N2O/c1-3-13-27(14-4-1)34-23-29-17-7-8-18-30(29)24-35(34)36-25-31-19-9-11-21-33(31)41-39(28-15-5-2-6-16-28)40(42-43(36)41)38-26-32-20-10-12-22-37(32)44-38/h1-26H
InChIKeyJQHUMNQBFXRKHB-UHFFFAOYSA-N
MW562.67 g/mol
LogP11.05
Rot. Bonds4

About 2-(1-benzofuran-2-yl)-1-phenyl-5-(3-phenylnaphthalen-2-yl)pyrazolo[5,1-a]isoquinoline

2-(1-benzofuran-2-yl)-1-phenyl-5-(3-phenylnaphthalen-2-yl)pyrazolo[5,1-a]isoquinoline (PubChem CID 90297292) has the molecular formula C41H26N2O and a molecular weight of 562.67 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-1-phenyl-5-(3-phenylnaphthalen-2-yl)pyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-1-phenyl-5-(3-phenylnaphthalen-2-yl)pyrazolo[5,1-a]isoquinoline
PubChem CID90297292
Molecular FormulaC41H26N2O
Molecular Weight562.67 g/mol
Exact Mass562.20
IUPAC Name2-(1-benzofuran-2-yl)-1-phenyl-5-(3-phenylnaphthalen-2-yl)pyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2cc3ccccc3cc2-c2cc3ccccc3c3c(-c4ccccc4)c(-c4cc5ccccc5o4)nn23)cc1
InChIInChI=1S/C41H26N2O/c1-3-13-27(14-4-1)34-23-29-17-7-8-18-30(29)24-35(34)36-25-31-19-9-11-21-33(31)41-39(28-15-5-2-6-16-28)40(42-43(36)41)38-26-32-20-10-12-22-37(32)44-38/h1-26H
InChIKeyJQHUMNQBFXRKHB-UHFFFAOYSA-N
XLogP11.05
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.67
LogP ≤ 511.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-1-phenyl-5-(3-phenylnaphthalen-2-yl)pyrazolo[5,1-a]isoquinoline?
The IUPAC name of 2-(1-benzofuran-2-yl)-1-phenyl-5-(3-phenylnaphthalen-2-yl)pyrazolo[5,1-a]isoquinoline (CID 90297292) is 2-(1-benzofuran-2-yl)-1-phenyl-5-(3-phenylnaphthalen-2-yl)pyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-1-phenyl-5-(3-phenylnaphthalen-2-yl)pyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 2-(1-benzofuran-2-yl)-1-phenyl-5-(3-phenylnaphthalen-2-yl)pyrazolo[5,1-a]isoquinoline is c1ccc(-c2cc3ccccc3cc2-c2cc3ccccc3c3c(-c4ccccc4)c(-c4cc5ccccc5o4)nn23)cc1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-1-phenyl-5-(3-phenylnaphthalen-2-yl)pyrazolo[5,1-a]isoquinoline?
The InChIKey is JQHUMNQBFXRKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2O/c1-3-13-27(14-4-1)34-23-29-17-7-8-18-30(29)24-35(34)36-25-31-19-9-11-21-33(31)41-39(28-15-5-2-6-16-28)40(42-43(36)41)38-26-32-20-10-12-22-37(32)44-38/h1-26H.
What are the key properties of 2-(1-benzofuran-2-yl)-1-phenyl-5-(3-phenylnaphthalen-2-yl)pyrazolo[5,1-a]isoquinoline?
2-(1-benzofuran-2-yl)-1-phenyl-5-(3-phenylnaphthalen-2-yl)pyrazolo[5,1-a]isoquinoline has a molecular weight of 562.67 g/mol, XLogP of 11.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-1-phenyl-5-(3-phenylnaphthalen-2-yl)pyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 90297292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).