5,10-di(quinolin-2-yl)benzo[g]isoquinoline

C31H19N3 — CID 59183077

IUPAC5,10-di(quinolin-2-yl)benzo[g]isoquinoline
SMILESc1ccc2nc(-c3c4ccccc4c(-c4ccc5ccccc5n4)c4cnccc34)ccc2c1
InChIInChI=1S/C31H19N3/c1-5-11-26-20(7-1)13-15-28(33-26)30-22-9-3-4-10-23(22)31(25-19-32-18-17-24(25)30)29-16-14-21-8-2-6-12-27(21)34-29/h1-19H
InChIKeyGVJXJPGMAPEUHE-UHFFFAOYSA-N
MW433.51 g/mol
LogP7.82
Rot. Bonds2

About 5,10-di(quinolin-2-yl)benzo[g]isoquinoline

5,10-di(quinolin-2-yl)benzo[g]isoquinoline (PubChem CID 59183077) has the molecular formula C31H19N3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 5,10-di(quinolin-2-yl)benzo[g]isoquinoline.

Molecular Properties

Compound Name5,10-di(quinolin-2-yl)benzo[g]isoquinoline
PubChem CID59183077
Molecular FormulaC31H19N3
Molecular Weight433.51 g/mol
Exact Mass433.16
IUPAC Name5,10-di(quinolin-2-yl)benzo[g]isoquinoline
SMILESc1ccc2nc(-c3c4ccccc4c(-c4ccc5ccccc5n4)c4cnccc34)ccc2c1
InChIInChI=1S/C31H19N3/c1-5-11-26-20(7-1)13-15-28(33-26)30-22-9-3-4-10-23(22)31(25-19-32-18-17-24(25)30)29-16-14-21-8-2-6-12-27(21)34-29/h1-19H
InChIKeyGVJXJPGMAPEUHE-UHFFFAOYSA-N
XLogP7.82
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,10-di(quinolin-2-yl)benzo[g]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,10-di(quinolin-2-yl)benzo[g]isoquinoline?
The IUPAC name of 5,10-di(quinolin-2-yl)benzo[g]isoquinoline (CID 59183077) is 5,10-di(quinolin-2-yl)benzo[g]isoquinoline.
What is the SMILES notation for 5,10-di(quinolin-2-yl)benzo[g]isoquinoline?
The canonical SMILES for 5,10-di(quinolin-2-yl)benzo[g]isoquinoline is c1ccc2nc(-c3c4ccccc4c(-c4ccc5ccccc5n4)c4cnccc34)ccc2c1.
What is the InChIKey of 5,10-di(quinolin-2-yl)benzo[g]isoquinoline?
The InChIKey is GVJXJPGMAPEUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N3/c1-5-11-26-20(7-1)13-15-28(33-26)30-22-9-3-4-10-23(22)31(25-19-32-18-17-24(25)30)29-16-14-21-8-2-6-12-27(21)34-29/h1-19H.
What are the key properties of 5,10-di(quinolin-2-yl)benzo[g]isoquinoline?
5,10-di(quinolin-2-yl)benzo[g]isoquinoline has a molecular weight of 433.51 g/mol, XLogP of 7.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-di(quinolin-2-yl)benzo[g]isoquinoline is sourced from PubChem (CID 59183077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).