6-bromo-3-phenyl-3H-indole

C14H10BrN — CID 59915450

IUPAC6-bromo-3-phenyl-3H-indole
SMILESBrc1ccc2c(c1)N=CC2c1ccccc1
InChIInChI=1S/C14H10BrN/c15-11-6-7-12-13(9-16-14(12)8-11)10-4-2-1-3-5-10/h1-9,13H
InChIKeyUFYDMNDUTGDOJF-UHFFFAOYSA-N
MW272.15 g/mol
LogP4.30
Rot. Bonds1

About 6-bromo-3-phenyl-3H-indole

6-bromo-3-phenyl-3H-indole (PubChem CID 59915450) has the molecular formula C14H10BrN and a molecular weight of 272.15 g/mol. Its IUPAC name is 6-bromo-3-phenyl-3H-indole.

Molecular Properties

Compound Name6-bromo-3-phenyl-3H-indole
PubChem CID59915450
Molecular FormulaC14H10BrN
Molecular Weight272.15 g/mol
Exact Mass271.00
IUPAC Name6-bromo-3-phenyl-3H-indole
SMILESBrc1ccc2c(c1)N=CC2c1ccccc1
InChIInChI=1S/C14H10BrN/c15-11-6-7-12-13(9-16-14(12)8-11)10-4-2-1-3-5-10/h1-9,13H
InChIKeyUFYDMNDUTGDOJF-UHFFFAOYSA-N
XLogP4.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-bromo-3-phenyl-3H-indole 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 6-bromo-3-phenyl-3H-indole?
The IUPAC name of 6-bromo-3-phenyl-3H-indole (CID 59915450) is 6-bromo-3-phenyl-3H-indole.
What is the SMILES notation for 6-bromo-3-phenyl-3H-indole?
The canonical SMILES for 6-bromo-3-phenyl-3H-indole is Brc1ccc2c(c1)N=CC2c1ccccc1.
What is the InChIKey of 6-bromo-3-phenyl-3H-indole?
The InChIKey is UFYDMNDUTGDOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN/c15-11-6-7-12-13(9-16-14(12)8-11)10-4-2-1-3-5-10/h1-9,13H.
What are the key properties of 6-bromo-3-phenyl-3H-indole?
6-bromo-3-phenyl-3H-indole has a molecular weight of 272.15 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-phenyl-3H-indole is sourced from PubChem (CID 59915450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).