9-(tribromomethyl)acridine

C14H8Br3N — CID 18471467

IUPAC9-(tribromomethyl)acridine
SMILESBrC(Br)(Br)c1c2ccccc2nc2ccccc12
InChIInChI=1S/C14H8Br3N/c15-14(16,17)13-9-5-1-3-7-11(9)18-12-8-4-2-6-10(12)13/h1-8H
InChIKeyKLHDDCZCXOBTJD-UHFFFAOYSA-N
MW429.94 g/mol
LogP5.68
Rot. Bonds

About 9-(tribromomethyl)acridine

9-(tribromomethyl)acridine (PubChem CID 18471467) has the molecular formula C14H8Br3N and a molecular weight of 429.94 g/mol. Its IUPAC name is 9-(tribromomethyl)acridine.

Molecular Properties

Compound Name9-(tribromomethyl)acridine
PubChem CID18471467
Molecular FormulaC14H8Br3N
Molecular Weight429.94 g/mol
Exact Mass426.82
IUPAC Name9-(tribromomethyl)acridine
SMILESBrC(Br)(Br)c1c2ccccc2nc2ccccc12
InChIInChI=1S/C14H8Br3N/c15-14(16,17)13-9-5-1-3-7-11(9)18-12-8-4-2-6-10(12)13/h1-8H
InChIKeyKLHDDCZCXOBTJD-UHFFFAOYSA-N
XLogP5.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.94
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(tribromomethyl)acridine?
The IUPAC name of 9-(tribromomethyl)acridine (CID 18471467) is 9-(tribromomethyl)acridine.
What is the SMILES notation for 9-(tribromomethyl)acridine?
The canonical SMILES for 9-(tribromomethyl)acridine is BrC(Br)(Br)c1c2ccccc2nc2ccccc12.
What is the InChIKey of 9-(tribromomethyl)acridine?
The InChIKey is KLHDDCZCXOBTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br3N/c15-14(16,17)13-9-5-1-3-7-11(9)18-12-8-4-2-6-10(12)13/h1-8H.
What are the key properties of 9-(tribromomethyl)acridine?
9-(tribromomethyl)acridine has a molecular weight of 429.94 g/mol, XLogP of 5.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(tribromomethyl)acridine is sourced from PubChem (CID 18471467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).