5-(furan-2-yl)-1-phenyl-2-(10-phenylanthracen-9-yl)pyrazolo[5,1-a]isoquinoline

C41H26N2O — CID 90297300

IUPAC5-(furan-2-yl)-1-phenyl-2-(10-phenylanthracen-9-yl)pyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2c3ccccc3c(-c3nn4c(-c5ccco5)cc5ccccc5c4c3-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C41H26N2O/c1-3-14-27(15-4-1)37-31-20-9-11-22-33(31)39(34-23-12-10-21-32(34)37)40-38(28-16-5-2-6-17-28)41-30-19-8-7-18-29(30)26-35(43(41)42-40)36-24-13-25-44-36/h1-26H
InChIKeyFKXUECRSGWGJME-UHFFFAOYSA-N
MW562.67 g/mol
LogP11.05
Rot. Bonds4

About 5-(furan-2-yl)-1-phenyl-2-(10-phenylanthracen-9-yl)pyrazolo[5,1-a]isoquinoline

5-(furan-2-yl)-1-phenyl-2-(10-phenylanthracen-9-yl)pyrazolo[5,1-a]isoquinoline (PubChem CID 90297300) has the molecular formula C41H26N2O and a molecular weight of 562.67 g/mol. Its IUPAC name is 5-(furan-2-yl)-1-phenyl-2-(10-phenylanthracen-9-yl)pyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name5-(furan-2-yl)-1-phenyl-2-(10-phenylanthracen-9-yl)pyrazolo[5,1-a]isoquinoline
PubChem CID90297300
Molecular FormulaC41H26N2O
Molecular Weight562.67 g/mol
Exact Mass562.20
IUPAC Name5-(furan-2-yl)-1-phenyl-2-(10-phenylanthracen-9-yl)pyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2c3ccccc3c(-c3nn4c(-c5ccco5)cc5ccccc5c4c3-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C41H26N2O/c1-3-14-27(15-4-1)37-31-20-9-11-22-33(31)39(34-23-12-10-21-32(34)37)40-38(28-16-5-2-6-17-28)41-30-19-8-7-18-29(30)26-35(43(41)42-40)36-24-13-25-44-36/h1-26H
InChIKeyFKXUECRSGWGJME-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1-phenyl-2-(10-phenylanthracen-9-yl)pyrazolo[5,1-a]isoquinoline?
The IUPAC name of 5-(furan-2-yl)-1-phenyl-2-(10-phenylanthracen-9-yl)pyrazolo[5,1-a]isoquinoline (CID 90297300) is 5-(furan-2-yl)-1-phenyl-2-(10-phenylanthracen-9-yl)pyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 5-(furan-2-yl)-1-phenyl-2-(10-phenylanthracen-9-yl)pyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 5-(furan-2-yl)-1-phenyl-2-(10-phenylanthracen-9-yl)pyrazolo[5,1-a]isoquinoline is c1ccc(-c2c3ccccc3c(-c3nn4c(-c5ccco5)cc5ccccc5c4c3-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 5-(furan-2-yl)-1-phenyl-2-(10-phenylanthracen-9-yl)pyrazolo[5,1-a]isoquinoline?
The InChIKey is FKXUECRSGWGJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2O/c1-3-14-27(15-4-1)37-31-20-9-11-22-33(31)39(34-23-12-10-21-32(34)37)40-38(28-16-5-2-6-17-28)41-30-19-8-7-18-29(30)26-35(43(41)42-40)36-24-13-25-44-36/h1-26H.
What are the key properties of 5-(furan-2-yl)-1-phenyl-2-(10-phenylanthracen-9-yl)pyrazolo[5,1-a]isoquinoline?
5-(furan-2-yl)-1-phenyl-2-(10-phenylanthracen-9-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 5-(furan-2-yl)-1-phenyl-2-(10-phenylanthracen-9-yl)pyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 90297300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).