9-amino-6,8,10-tribromobenzo[a]xanthen-5-one

C17H8Br3NO2 — CID 132534180

IUPAC9-amino-6,8,10-tribromobenzo[a]xanthen-5-one
SMILESNc1c(Br)cc2cc3c4ccccc4c(=O)c(Br)c-3oc2c1Br
InChIInChI=1S/C17H8Br3NO2/c18-11-6-7-5-10-8-3-1-2-4-9(8)15(22)13(20)17(10)23-16(7)12(19)14(11)21/h1-6H,21H2
InChIKeyYUBQPFKIKZGXJI-UHFFFAOYSA-N
MW497.97 g/mol
LogP5.92
Rot. Bonds

About 9-amino-6,8,10-tribromobenzo[a]xanthen-5-one

9-amino-6,8,10-tribromobenzo[a]xanthen-5-one (PubChem CID 132534180) has the molecular formula C17H8Br3NO2 and a molecular weight of 497.97 g/mol. Its IUPAC name is 9-amino-6,8,10-tribromobenzo[a]xanthen-5-one.

Molecular Properties

Compound Name9-amino-6,8,10-tribromobenzo[a]xanthen-5-one
PubChem CID132534180
Molecular FormulaC17H8Br3NO2
Molecular Weight497.97 g/mol
Exact Mass494.81
IUPAC Name9-amino-6,8,10-tribromobenzo[a]xanthen-5-one
SMILESNc1c(Br)cc2cc3c4ccccc4c(=O)c(Br)c-3oc2c1Br
InChIInChI=1S/C17H8Br3NO2/c18-11-6-7-5-10-8-3-1-2-4-9(8)15(22)13(20)17(10)23-16(7)12(19)14(11)21/h1-6H,21H2
InChIKeyYUBQPFKIKZGXJI-UHFFFAOYSA-N
XLogP5.92
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.97
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-amino-6,8,10-tribromobenzo[a]xanthen-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,8-dibromo-2-phenylchromen-4-one
CID 91664816
3-bromonaphthalene-1,2-diamine
CID 68737898
7-amino-3,6,8-tribromo-4-methylchromen-2-one
CID 24799278
6-bromobenzo[a]phenoxazin-5-one
CID 12933237
3-amino-2-(2,4-dibromophenyl)-1H-quinolin-4-one
CID 166439878
4,5-dibromo-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-1,3,5,7,9,11,13-heptaene
CID 123634923
8-amino-7-bromo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione
CID 54008366
6-bromo-2-oxobenzo[h]chromene-3-carboxylic acid
CID 918806
CID 162004190
CID 162004190
6-amino-5-bromobenzo[de]isoquinoline-1,3-dione
CID 15404871
4-bromodibenzofuran-2-amine
CID 122462972
3-bromo-2-methylnaphthalen-1-amine
CID 170568241

Frequently Asked Questions

What is the IUPAC name of 9-amino-6,8,10-tribromobenzo[a]xanthen-5-one?
The IUPAC name of 9-amino-6,8,10-tribromobenzo[a]xanthen-5-one (CID 132534180) is 9-amino-6,8,10-tribromobenzo[a]xanthen-5-one.
What is the SMILES notation for 9-amino-6,8,10-tribromobenzo[a]xanthen-5-one?
The canonical SMILES for 9-amino-6,8,10-tribromobenzo[a]xanthen-5-one is Nc1c(Br)cc2cc3c4ccccc4c(=O)c(Br)c-3oc2c1Br.
What is the InChIKey of 9-amino-6,8,10-tribromobenzo[a]xanthen-5-one?
The InChIKey is YUBQPFKIKZGXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8Br3NO2/c18-11-6-7-5-10-8-3-1-2-4-9(8)15(22)13(20)17(10)23-16(7)12(19)14(11)21/h1-6H,21H2.
What are the key properties of 9-amino-6,8,10-tribromobenzo[a]xanthen-5-one?
9-amino-6,8,10-tribromobenzo[a]xanthen-5-one has a molecular weight of 497.97 g/mol, XLogP of 5.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-6,8,10-tribromobenzo[a]xanthen-5-one is sourced from PubChem (CID 132534180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).