4-(4-bromophenyl)acridine

C19H12BrN — CID 23088551

IUPAC4-(4-bromophenyl)acridine
SMILESBrc1ccc(-c2cccc3cc4ccccc4nc23)cc1
InChIInChI=1S/C19H12BrN/c20-16-10-8-13(9-11-16)17-6-3-5-15-12-14-4-1-2-7-18(14)21-19(15)17/h1-12H
InChIKeyRARPHADBKBDRAG-UHFFFAOYSA-N
MW334.22 g/mol
LogP5.82
Rot. Bonds1

About 4-(4-bromophenyl)acridine

4-(4-bromophenyl)acridine (PubChem CID 23088551) has the molecular formula C19H12BrN and a molecular weight of 334.22 g/mol. Its IUPAC name is 4-(4-bromophenyl)acridine.

Molecular Properties

Compound Name4-(4-bromophenyl)acridine
PubChem CID23088551
Molecular FormulaC19H12BrN
Molecular Weight334.22 g/mol
Exact Mass333.02
IUPAC Name4-(4-bromophenyl)acridine
SMILESBrc1ccc(-c2cccc3cc4ccccc4nc23)cc1
InChIInChI=1S/C19H12BrN/c20-16-10-8-13(9-11-16)17-6-3-5-15-12-14-4-1-2-7-18(14)21-19(15)17/h1-12H
InChIKeyRARPHADBKBDRAG-UHFFFAOYSA-N
XLogP5.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.22
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(4-bromophenyl)acridine 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-(4-bromophenyl)acridine?
The IUPAC name of 4-(4-bromophenyl)acridine (CID 23088551) is 4-(4-bromophenyl)acridine.
What is the SMILES notation for 4-(4-bromophenyl)acridine?
The canonical SMILES for 4-(4-bromophenyl)acridine is Brc1ccc(-c2cccc3cc4ccccc4nc23)cc1.
What is the InChIKey of 4-(4-bromophenyl)acridine?
The InChIKey is RARPHADBKBDRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrN/c20-16-10-8-13(9-11-16)17-6-3-5-15-12-14-4-1-2-7-18(14)21-19(15)17/h1-12H.
What are the key properties of 4-(4-bromophenyl)acridine?
4-(4-bromophenyl)acridine has a molecular weight of 334.22 g/mol, XLogP of 5.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)acridine is sourced from PubChem (CID 23088551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).