6-bromo-3-(4-bromophenyl)-1H-indole

C14H9Br2N — CID 118648675

IUPAC6-bromo-3-(4-bromophenyl)-1H-indole
SMILESBrc1ccc(-c2c[nH]c3cc(Br)ccc23)cc1
InChIInChI=1S/C14H9Br2N/c15-10-3-1-9(2-4-10)13-8-17-14-7-11(16)5-6-12(13)14/h1-8,17H
InChIKeyUYYLLVLOFYPYFF-UHFFFAOYSA-N
MW351.04 g/mol
LogP5.36
Rot. Bonds1

About 6-bromo-3-(4-bromophenyl)-1H-indole

6-bromo-3-(4-bromophenyl)-1H-indole (PubChem CID 118648675) has the molecular formula C14H9Br2N and a molecular weight of 351.04 g/mol. Its IUPAC name is 6-bromo-3-(4-bromophenyl)-1H-indole.

Molecular Properties

Compound Name6-bromo-3-(4-bromophenyl)-1H-indole
PubChem CID118648675
Molecular FormulaC14H9Br2N
Molecular Weight351.04 g/mol
Exact Mass348.91
IUPAC Name6-bromo-3-(4-bromophenyl)-1H-indole
SMILESBrc1ccc(-c2c[nH]c3cc(Br)ccc23)cc1
InChIInChI=1S/C14H9Br2N/c15-10-3-1-9(2-4-10)13-8-17-14-7-11(16)5-6-12(13)14/h1-8,17H
InChIKeyUYYLLVLOFYPYFF-UHFFFAOYSA-N
XLogP5.36
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.04
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(4-bromophenyl)-1H-indole?
The IUPAC name of 6-bromo-3-(4-bromophenyl)-1H-indole (CID 118648675) is 6-bromo-3-(4-bromophenyl)-1H-indole.
What is the SMILES notation for 6-bromo-3-(4-bromophenyl)-1H-indole?
The canonical SMILES for 6-bromo-3-(4-bromophenyl)-1H-indole is Brc1ccc(-c2c[nH]c3cc(Br)ccc23)cc1.
What is the InChIKey of 6-bromo-3-(4-bromophenyl)-1H-indole?
The InChIKey is UYYLLVLOFYPYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2N/c15-10-3-1-9(2-4-10)13-8-17-14-7-11(16)5-6-12(13)14/h1-8,17H.
What are the key properties of 6-bromo-3-(4-bromophenyl)-1H-indole?
6-bromo-3-(4-bromophenyl)-1H-indole has a molecular weight of 351.04 g/mol, XLogP of 5.36, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(4-bromophenyl)-1H-indole is sourced from PubChem (CID 118648675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).