4-(2-acridin-1-ylethenyl)aniline

C21H16N2 — CID 159894028

IUPAC4-(2-acridin-1-ylethenyl)aniline
SMILESNc1ccc(C=Cc2cccc3nc4ccccc4cc23)cc1
InChIInChI=1S/C21H16N2/c22-18-12-9-15(10-13-18)8-11-16-5-3-7-21-19(16)14-17-4-1-2-6-20(17)23-21/h1-14H,22H2
InChIKeyNVCQBYTZYFFBNP-UHFFFAOYSA-N
MW296.37 g/mol
LogP5.14
Rot. Bonds2

About 4-(2-acridin-1-ylethenyl)aniline

4-(2-acridin-1-ylethenyl)aniline (PubChem CID 159894028) has the molecular formula C21H16N2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-(2-acridin-1-ylethenyl)aniline.

Molecular Properties

Compound Name4-(2-acridin-1-ylethenyl)aniline
PubChem CID159894028
Molecular FormulaC21H16N2
Molecular Weight296.37 g/mol
Exact Mass296.13
IUPAC Name4-(2-acridin-1-ylethenyl)aniline
SMILESNc1ccc(C=Cc2cccc3nc4ccccc4cc23)cc1
InChIInChI=1S/C21H16N2/c22-18-12-9-15(10-13-18)8-11-16-5-3-7-21-19(16)14-17-4-1-2-6-20(17)23-21/h1-14H,22H2
InChIKeyNVCQBYTZYFFBNP-UHFFFAOYSA-N
XLogP5.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.37
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-acridin-1-ylethenyl)aniline 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 4-(2-acridin-1-ylethenyl)aniline?
The IUPAC name of 4-(2-acridin-1-ylethenyl)aniline (CID 159894028) is 4-(2-acridin-1-ylethenyl)aniline.
What is the SMILES notation for 4-(2-acridin-1-ylethenyl)aniline?
The canonical SMILES for 4-(2-acridin-1-ylethenyl)aniline is Nc1ccc(C=Cc2cccc3nc4ccccc4cc23)cc1.
What is the InChIKey of 4-(2-acridin-1-ylethenyl)aniline?
The InChIKey is NVCQBYTZYFFBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2/c22-18-12-9-15(10-13-18)8-11-16-5-3-7-21-19(16)14-17-4-1-2-6-20(17)23-21/h1-14H,22H2.
What are the key properties of 4-(2-acridin-1-ylethenyl)aniline?
4-(2-acridin-1-ylethenyl)aniline has a molecular weight of 296.37 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acridin-1-ylethenyl)aniline is sourced from PubChem (CID 159894028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).