3-[bromo-(5-bromothiophen-3-yl)methyl]-9H-carbazole

C17H11Br2NS — CID 107964647

IUPAC3-[bromo-(5-bromothiophen-3-yl)methyl]-9H-carbazole
SMILESBrc1cc(C(Br)c2ccc3[nH]c4ccccc4c3c2)cs1
InChIInChI=1S/C17H11Br2NS/c18-16-8-11(9-21-16)17(19)10-5-6-15-13(7-10)12-3-1-2-4-14(12)20-15/h1-9,17,20H
InChIKeyLUIDPOVWSABIPE-UHFFFAOYSA-N
MW421.16 g/mol
LogP6.63
Rot. Bonds2

About 3-[bromo-(5-bromothiophen-3-yl)methyl]-9H-carbazole

3-[bromo-(5-bromothiophen-3-yl)methyl]-9H-carbazole (PubChem CID 107964647) has the molecular formula C17H11Br2NS and a molecular weight of 421.16 g/mol. Its IUPAC name is 3-[bromo-(5-bromothiophen-3-yl)methyl]-9H-carbazole.

Molecular Properties

Compound Name3-[bromo-(5-bromothiophen-3-yl)methyl]-9H-carbazole
PubChem CID107964647
Molecular FormulaC17H11Br2NS
Molecular Weight421.16 g/mol
Exact Mass418.90
IUPAC Name3-[bromo-(5-bromothiophen-3-yl)methyl]-9H-carbazole
SMILESBrc1cc(C(Br)c2ccc3[nH]c4ccccc4c3c2)cs1
InChIInChI=1S/C17H11Br2NS/c18-16-8-11(9-21-16)17(19)10-5-6-15-13(7-10)12-3-1-2-4-14(12)20-15/h1-9,17,20H
InChIKeyLUIDPOVWSABIPE-UHFFFAOYSA-N
XLogP6.63
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.16
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[bromo-(5-bromothiophen-3-yl)methyl]-9H-carbazole 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 3-[bromo-(5-bromothiophen-3-yl)methyl]-9H-carbazole?
The IUPAC name of 3-[bromo-(5-bromothiophen-3-yl)methyl]-9H-carbazole (CID 107964647) is 3-[bromo-(5-bromothiophen-3-yl)methyl]-9H-carbazole.
What is the SMILES notation for 3-[bromo-(5-bromothiophen-3-yl)methyl]-9H-carbazole?
The canonical SMILES for 3-[bromo-(5-bromothiophen-3-yl)methyl]-9H-carbazole is Brc1cc(C(Br)c2ccc3[nH]c4ccccc4c3c2)cs1.
What is the InChIKey of 3-[bromo-(5-bromothiophen-3-yl)methyl]-9H-carbazole?
The InChIKey is LUIDPOVWSABIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Br2NS/c18-16-8-11(9-21-16)17(19)10-5-6-15-13(7-10)12-3-1-2-4-14(12)20-15/h1-9,17,20H.
What are the key properties of 3-[bromo-(5-bromothiophen-3-yl)methyl]-9H-carbazole?
3-[bromo-(5-bromothiophen-3-yl)methyl]-9H-carbazole has a molecular weight of 421.16 g/mol, XLogP of 6.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bromo-(5-bromothiophen-3-yl)methyl]-9H-carbazole is sourced from PubChem (CID 107964647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).