5,10-bis(furan-2-yl)benzo[g]isoquinoline

C21H13NO2 — CID 59183652

IUPAC5,10-bis(furan-2-yl)benzo[g]isoquinoline
SMILESc1coc(-c2c3ccccc3c(-c3ccco3)c3cnccc23)c1
InChIInChI=1S/C21H13NO2/c1-2-6-15-14(5-1)20(18-7-3-11-23-18)16-9-10-22-13-17(16)21(15)19-8-4-12-24-19/h1-13H
InChIKeyJNYOZFNBWJSZFD-UHFFFAOYSA-N
MW311.34 g/mol
LogP5.91
Rot. Bonds2

About 5,10-bis(furan-2-yl)benzo[g]isoquinoline

5,10-bis(furan-2-yl)benzo[g]isoquinoline (PubChem CID 59183652) has the molecular formula C21H13NO2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 5,10-bis(furan-2-yl)benzo[g]isoquinoline.

Molecular Properties

Compound Name5,10-bis(furan-2-yl)benzo[g]isoquinoline
PubChem CID59183652
Molecular FormulaC21H13NO2
Molecular Weight311.34 g/mol
Exact Mass311.09
IUPAC Name5,10-bis(furan-2-yl)benzo[g]isoquinoline
SMILESc1coc(-c2c3ccccc3c(-c3ccco3)c3cnccc23)c1
InChIInChI=1S/C21H13NO2/c1-2-6-15-14(5-1)20(18-7-3-11-23-18)16-9-10-22-13-17(16)21(15)19-8-4-12-24-19/h1-13H
InChIKeyJNYOZFNBWJSZFD-UHFFFAOYSA-N
XLogP5.91
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.34
LogP ≤ 55.91
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 5,10-bis(furan-2-yl)benzo[g]isoquinoline?
The IUPAC name of 5,10-bis(furan-2-yl)benzo[g]isoquinoline (CID 59183652) is 5,10-bis(furan-2-yl)benzo[g]isoquinoline.
What is the SMILES notation for 5,10-bis(furan-2-yl)benzo[g]isoquinoline?
The canonical SMILES for 5,10-bis(furan-2-yl)benzo[g]isoquinoline is c1coc(-c2c3ccccc3c(-c3ccco3)c3cnccc23)c1.
What is the InChIKey of 5,10-bis(furan-2-yl)benzo[g]isoquinoline?
The InChIKey is JNYOZFNBWJSZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13NO2/c1-2-6-15-14(5-1)20(18-7-3-11-23-18)16-9-10-22-13-17(16)21(15)19-8-4-12-24-19/h1-13H.
What are the key properties of 5,10-bis(furan-2-yl)benzo[g]isoquinoline?
5,10-bis(furan-2-yl)benzo[g]isoquinoline has a molecular weight of 311.34 g/mol, XLogP of 5.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-bis(furan-2-yl)benzo[g]isoquinoline is sourced from PubChem (CID 59183652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).