1-(3-isoquinolin-1-ylphenyl)isoquinoline

C24H16N2 — CID 21024819

IUPAC1-(3-isoquinolin-1-ylphenyl)isoquinoline
SMILESc1cc(-c2nccc3ccccc23)cc(-c2nccc3ccccc23)c1
InChIInChI=1S/C24H16N2/c1-3-10-21-17(6-1)12-14-25-23(21)19-8-5-9-20(16-19)24-22-11-4-2-7-18(22)13-15-26-24/h1-16H
InChIKeyZXUBBXHGUTZRAW-UHFFFAOYSA-N
MW332.41 g/mol
LogP6.12
Rot. Bonds2

About 1-(3-isoquinolin-1-ylphenyl)isoquinoline

1-(3-isoquinolin-1-ylphenyl)isoquinoline (PubChem CID 21024819) has the molecular formula C24H16N2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-(3-isoquinolin-1-ylphenyl)isoquinoline.

Molecular Properties

Compound Name1-(3-isoquinolin-1-ylphenyl)isoquinoline
PubChem CID21024819
Molecular FormulaC24H16N2
Molecular Weight332.41 g/mol
Exact Mass332.13
IUPAC Name1-(3-isoquinolin-1-ylphenyl)isoquinoline
SMILESc1cc(-c2nccc3ccccc23)cc(-c2nccc3ccccc23)c1
InChIInChI=1S/C24H16N2/c1-3-10-21-17(6-1)12-14-25-23(21)19-8-5-9-20(16-19)24-22-11-4-2-7-18(22)13-15-26-24/h1-16H
InChIKeyZXUBBXHGUTZRAW-UHFFFAOYSA-N
XLogP6.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.41
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-isoquinolin-1-ylphenyl)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 1-(3-isoquinolin-1-ylphenyl)isoquinoline?
The IUPAC name of 1-(3-isoquinolin-1-ylphenyl)isoquinoline (CID 21024819) is 1-(3-isoquinolin-1-ylphenyl)isoquinoline.
What is the SMILES notation for 1-(3-isoquinolin-1-ylphenyl)isoquinoline?
The canonical SMILES for 1-(3-isoquinolin-1-ylphenyl)isoquinoline is c1cc(-c2nccc3ccccc23)cc(-c2nccc3ccccc23)c1.
What is the InChIKey of 1-(3-isoquinolin-1-ylphenyl)isoquinoline?
The InChIKey is ZXUBBXHGUTZRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2/c1-3-10-21-17(6-1)12-14-25-23(21)19-8-5-9-20(16-19)24-22-11-4-2-7-18(22)13-15-26-24/h1-16H.
What are the key properties of 1-(3-isoquinolin-1-ylphenyl)isoquinoline?
1-(3-isoquinolin-1-ylphenyl)isoquinoline has a molecular weight of 332.41 g/mol, XLogP of 6.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-isoquinolin-1-ylphenyl)isoquinoline is sourced from PubChem (CID 21024819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).