benzo[a]acridine

C17H11N — CID 9180

IUPACbenzo[a]acridine
SMILESc1ccc2nc3ccc4ccccc4c3cc2c1
InChIInChI=1S/C17H11N/c1-3-7-14-12(5-1)9-10-17-15(14)11-13-6-2-4-8-16(13)18-17/h1-11H
InChIKeyJEGZRTMZYUDVBF-UHFFFAOYSA-N
MW229.28 g/mol
LogP4.54
Rot. Bonds

About benzo[a]acridine

benzo[a]acridine (PubChem CID 9180) has the molecular formula C17H11N and a molecular weight of 229.28 g/mol. Its IUPAC name is benzo[a]acridine.

Molecular Properties

Compound Namebenzo[a]acridine
PubChem CID9180
Molecular FormulaC17H11N
Molecular Weight229.28 g/mol
Exact Mass229.09
IUPAC Namebenzo[a]acridine
SMILESc1ccc2nc3ccc4ccccc4c3cc2c1
InChIInChI=1S/C17H11N/c1-3-7-14-12(5-1)9-10-17-15(14)11-13-6-2-4-8-16(13)18-17/h1-11H
InChIKeyJEGZRTMZYUDVBF-UHFFFAOYSA-N
XLogP4.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzo[a]acridine?
The IUPAC name of benzo[a]acridine (CID 9180) is benzo[a]acridine.
What is the SMILES notation for benzo[a]acridine?
The canonical SMILES for benzo[a]acridine is c1ccc2nc3ccc4ccccc4c3cc2c1.
What is the InChIKey of benzo[a]acridine?
The InChIKey is JEGZRTMZYUDVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N/c1-3-7-14-12(5-1)9-10-17-15(14)11-13-6-2-4-8-16(13)18-17/h1-11H.
What are the key properties of benzo[a]acridine?
benzo[a]acridine has a molecular weight of 229.28 g/mol, XLogP of 4.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[a]acridine is sourced from PubChem (CID 9180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).