9-[4-(bromomethyl)phenyl]acridine

C20H14BrN — CID 10712694

IUPAC9-[4-(bromomethyl)phenyl]acridine
SMILESBrCc1ccc(-c2c3ccccc3nc3ccccc23)cc1
InChIInChI=1S/C20H14BrN/c21-13-14-9-11-15(12-10-14)20-16-5-1-3-7-18(16)22-19-8-4-2-6-17(19)20/h1-12H,13H2
InChIKeyNNSHIMQSNARBAZ-UHFFFAOYSA-N
MW348.24 g/mol
LogP5.95
Rot. Bonds2

About 9-[4-(bromomethyl)phenyl]acridine

9-[4-(bromomethyl)phenyl]acridine (PubChem CID 10712694) has the molecular formula C20H14BrN and a molecular weight of 348.24 g/mol. Its IUPAC name is 9-[4-(bromomethyl)phenyl]acridine.

Molecular Properties

Compound Name9-[4-(bromomethyl)phenyl]acridine
PubChem CID10712694
Molecular FormulaC20H14BrN
Molecular Weight348.24 g/mol
Exact Mass347.03
IUPAC Name9-[4-(bromomethyl)phenyl]acridine
SMILESBrCc1ccc(-c2c3ccccc3nc3ccccc23)cc1
InChIInChI=1S/C20H14BrN/c21-13-14-9-11-15(12-10-14)20-16-5-1-3-7-18(16)22-19-8-4-2-6-17(19)20/h1-12H,13H2
InChIKeyNNSHIMQSNARBAZ-UHFFFAOYSA-N
XLogP5.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.24
LogP ≤ 55.95
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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Related Compounds

1,1'-biphenyl;1-(bromomethyl)-4-phenylbenzene
CID 174560327
9-[4-(trifluoromethyl)phenyl]acridine
CID 134960902
9-(4-ethoxyphenyl)acridine
CID 18966036
9,10-bis[3,5-bis(bromomethyl)phenyl]anthracene
CID 139834387
9-(4-azidophenyl)acridine
CID 15340007
12-(4-methylphenyl)benzo[a]acridine
CID 46187960
1,3-dihydroimidazole-2-thione;9-phenylacridine
CID 88528417
1,1'-biphenyl;bromomethylbenzene
CID 18398670
2-benzyl-3,4-diphenylquinoline;dihydrochloride
CID 175553096
3,4-bis(4-bromophenyl)quinolin-2-amine
CID 166443638
bromomethylbenzene;quinoline
CID 23497775
2-[(4-methylphenyl)methyl]-9-phenylpyrrolo[3,4-b]quinolin-1-ol
CID 135995962

Frequently Asked Questions

What is the IUPAC name of 9-[4-(bromomethyl)phenyl]acridine?
The IUPAC name of 9-[4-(bromomethyl)phenyl]acridine (CID 10712694) is 9-[4-(bromomethyl)phenyl]acridine.
What is the SMILES notation for 9-[4-(bromomethyl)phenyl]acridine?
The canonical SMILES for 9-[4-(bromomethyl)phenyl]acridine is BrCc1ccc(-c2c3ccccc3nc3ccccc23)cc1.
What is the InChIKey of 9-[4-(bromomethyl)phenyl]acridine?
The InChIKey is NNSHIMQSNARBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN/c21-13-14-9-11-15(12-10-14)20-16-5-1-3-7-18(16)22-19-8-4-2-6-17(19)20/h1-12H,13H2.
What are the key properties of 9-[4-(bromomethyl)phenyl]acridine?
9-[4-(bromomethyl)phenyl]acridine has a molecular weight of 348.24 g/mol, XLogP of 5.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(bromomethyl)phenyl]acridine is sourced from PubChem (CID 10712694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).