5,6-dibromo-3-(4-bromophenyl)sulfanyl-1H-indole

C14H8Br3NS — CID 155411152

IUPAC5,6-dibromo-3-(4-bromophenyl)sulfanyl-1H-indole
SMILESBrc1ccc(Sc2c[nH]c3cc(Br)c(Br)cc23)cc1
InChIInChI=1S/C14H8Br3NS/c15-8-1-3-9(4-2-8)19-14-7-18-13-6-12(17)11(16)5-10(13)14/h1-7,18H
InChIKeyGIFCSWFQPHDZRN-UHFFFAOYSA-N
MW462.00 g/mol
LogP6.61
Rot. Bonds2

About 5,6-dibromo-3-(4-bromophenyl)sulfanyl-1H-indole

5,6-dibromo-3-(4-bromophenyl)sulfanyl-1H-indole (PubChem CID 155411152) has the molecular formula C14H8Br3NS and a molecular weight of 462.00 g/mol. Its IUPAC name is 5,6-dibromo-3-(4-bromophenyl)sulfanyl-1H-indole.

Molecular Properties

Compound Name5,6-dibromo-3-(4-bromophenyl)sulfanyl-1H-indole
PubChem CID155411152
Molecular FormulaC14H8Br3NS
Molecular Weight462.00 g/mol
Exact Mass458.79
IUPAC Name5,6-dibromo-3-(4-bromophenyl)sulfanyl-1H-indole
SMILESBrc1ccc(Sc2c[nH]c3cc(Br)c(Br)cc23)cc1
InChIInChI=1S/C14H8Br3NS/c15-8-1-3-9(4-2-8)19-14-7-18-13-6-12(17)11(16)5-10(13)14/h1-7,18H
InChIKeyGIFCSWFQPHDZRN-UHFFFAOYSA-N
XLogP6.61
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.00
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dibromo-3-(4-bromophenyl)sulfanyl-1H-indole?
The IUPAC name of 5,6-dibromo-3-(4-bromophenyl)sulfanyl-1H-indole (CID 155411152) is 5,6-dibromo-3-(4-bromophenyl)sulfanyl-1H-indole.
What is the SMILES notation for 5,6-dibromo-3-(4-bromophenyl)sulfanyl-1H-indole?
The canonical SMILES for 5,6-dibromo-3-(4-bromophenyl)sulfanyl-1H-indole is Brc1ccc(Sc2c[nH]c3cc(Br)c(Br)cc23)cc1.
What is the InChIKey of 5,6-dibromo-3-(4-bromophenyl)sulfanyl-1H-indole?
The InChIKey is GIFCSWFQPHDZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br3NS/c15-8-1-3-9(4-2-8)19-14-7-18-13-6-12(17)11(16)5-10(13)14/h1-7,18H.
What are the key properties of 5,6-dibromo-3-(4-bromophenyl)sulfanyl-1H-indole?
5,6-dibromo-3-(4-bromophenyl)sulfanyl-1H-indole has a molecular weight of 462.00 g/mol, XLogP of 6.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromo-3-(4-bromophenyl)sulfanyl-1H-indole is sourced from PubChem (CID 155411152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).