azane;2,4,6-tribromo-N-(2,4,6-tribromophenyl)aniline

C12H8Br6N2 — CID 88686160

IUPACazane;2,4,6-tribromo-N-(2,4,6-tribromophenyl)aniline
SMILESBrc1cc(Br)c(Nc2c(Br)cc(Br)cc2Br)c(Br)c1.N
InChIInChI=1S/C12H5Br6N.H3N/c13-5-1-7(15)11(8(16)2-5)19-12-9(17)3-6(14)4-10(12)18;/h1-4,19H;1H3
InChIKeyVZDFYGNAFCPYST-UHFFFAOYSA-N
MW659.63 g/mol
LogP8.17
Rot. Bonds2

About azane;2,4,6-tribromo-N-(2,4,6-tribromophenyl)aniline

azane;2,4,6-tribromo-N-(2,4,6-tribromophenyl)aniline (PubChem CID 88686160) has the molecular formula C12H8Br6N2 and a molecular weight of 659.63 g/mol. Its IUPAC name is azane;2,4,6-tribromo-N-(2,4,6-tribromophenyl)aniline.

Molecular Properties

Compound Nameazane;2,4,6-tribromo-N-(2,4,6-tribromophenyl)aniline
PubChem CID88686160
Molecular FormulaC12H8Br6N2
Molecular Weight659.63 g/mol
Exact Mass653.58
IUPAC Nameazane;2,4,6-tribromo-N-(2,4,6-tribromophenyl)aniline
SMILESBrc1cc(Br)c(Nc2c(Br)cc(Br)cc2Br)c(Br)c1.N
InChIInChI=1S/C12H5Br6N.H3N/c13-5-1-7(15)11(8(16)2-5)19-12-9(17)3-6(14)4-10(12)18;/h1-4,19H;1H3
InChIKeyVZDFYGNAFCPYST-UHFFFAOYSA-N
XLogP8.17
TPSA47.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.63
LogP ≤ 58.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze azane;2,4,6-tribromo-N-(2,4,6-tribromophenyl)aniline 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 azane;2,4,6-tribromo-N-(2,4,6-tribromophenyl)aniline?
The IUPAC name of azane;2,4,6-tribromo-N-(2,4,6-tribromophenyl)aniline (CID 88686160) is azane;2,4,6-tribromo-N-(2,4,6-tribromophenyl)aniline.
What is the SMILES notation for azane;2,4,6-tribromo-N-(2,4,6-tribromophenyl)aniline?
The canonical SMILES for azane;2,4,6-tribromo-N-(2,4,6-tribromophenyl)aniline is Brc1cc(Br)c(Nc2c(Br)cc(Br)cc2Br)c(Br)c1.N.
What is the InChIKey of azane;2,4,6-tribromo-N-(2,4,6-tribromophenyl)aniline?
The InChIKey is VZDFYGNAFCPYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Br6N.H3N/c13-5-1-7(15)11(8(16)2-5)19-12-9(17)3-6(14)4-10(12)18;/h1-4,19H;1H3.
What are the key properties of azane;2,4,6-tribromo-N-(2,4,6-tribromophenyl)aniline?
azane;2,4,6-tribromo-N-(2,4,6-tribromophenyl)aniline has a molecular weight of 659.63 g/mol, XLogP of 8.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,4,6-tribromo-N-(2,4,6-tribromophenyl)aniline is sourced from PubChem (CID 88686160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).