6-bromo-3-(6-bromo-1H-indol-3-yl)-1H-indole

C16H10Br2N2 — CID 135057751

IUPAC6-bromo-3-(6-bromo-1H-indol-3-yl)-1H-indole
SMILESBrc1ccc2c(-c3c[nH]c4cc(Br)ccc34)c[nH]c2c1
InChIInChI=1S/C16H10Br2N2/c17-9-1-3-11-13(7-19-15(11)5-9)14-8-20-16-6-10(18)2-4-12(14)16/h1-8,19-20H
InChIKeyYYFQTLVHJJJUGM-UHFFFAOYSA-N
MW390.08 g/mol
LogP5.84
Rot. Bonds1

About 6-bromo-3-(6-bromo-1H-indol-3-yl)-1H-indole

6-bromo-3-(6-bromo-1H-indol-3-yl)-1H-indole (PubChem CID 135057751) has the molecular formula C16H10Br2N2 and a molecular weight of 390.08 g/mol. Its IUPAC name is 6-bromo-3-(6-bromo-1H-indol-3-yl)-1H-indole.

Molecular Properties

Compound Name6-bromo-3-(6-bromo-1H-indol-3-yl)-1H-indole
PubChem CID135057751
Molecular FormulaC16H10Br2N2
Molecular Weight390.08 g/mol
Exact Mass387.92
IUPAC Name6-bromo-3-(6-bromo-1H-indol-3-yl)-1H-indole
SMILESBrc1ccc2c(-c3c[nH]c4cc(Br)ccc34)c[nH]c2c1
InChIInChI=1S/C16H10Br2N2/c17-9-1-3-11-13(7-19-15(11)5-9)14-8-20-16-6-10(18)2-4-12(14)16/h1-8,19-20H
InChIKeyYYFQTLVHJJJUGM-UHFFFAOYSA-N
XLogP5.84
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.08
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

Tryptamine
CID 1150
3,3'-Diindolylmethane
CID 3071
5-Bromoindole
CID 24905
Tryptaminium
CID 3985862
5-Bromotryptamine
CID 77158
3-(1,2,3,6-Tetrahydropyridin-4-yl)-1H-indole
CID 2761023
3-(2-(4-Pyridyl)ethyl)indole
CID 27934
2-(5-bromo-1H-indol-3-yl)acetonitrile
CID 13805944
2-(1H-indol-3-yl)-2-phenylethan-1-amine
CID 609935
2-[2,2-bis(1H-indol-3-yl)ethyl]aniline
CID 236191
2,7-Dibromocarbazole
CID 11151503
5-(3-Benzylpyrrolidin-3-YL)-1H-indole (structural mix)
CID 44230732

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(6-bromo-1H-indol-3-yl)-1H-indole?
The IUPAC name of 6-bromo-3-(6-bromo-1H-indol-3-yl)-1H-indole (CID 135057751) is 6-bromo-3-(6-bromo-1H-indol-3-yl)-1H-indole.
What is the SMILES notation for 6-bromo-3-(6-bromo-1H-indol-3-yl)-1H-indole?
The canonical SMILES for 6-bromo-3-(6-bromo-1H-indol-3-yl)-1H-indole is Brc1ccc2c(-c3c[nH]c4cc(Br)ccc34)c[nH]c2c1.
What is the InChIKey of 6-bromo-3-(6-bromo-1H-indol-3-yl)-1H-indole?
The InChIKey is YYFQTLVHJJJUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2N2/c17-9-1-3-11-13(7-19-15(11)5-9)14-8-20-16-6-10(18)2-4-12(14)16/h1-8,19-20H.
What are the key properties of 6-bromo-3-(6-bromo-1H-indol-3-yl)-1H-indole?
6-bromo-3-(6-bromo-1H-indol-3-yl)-1H-indole has a molecular weight of 390.08 g/mol, XLogP of 5.84, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(6-bromo-1H-indol-3-yl)-1H-indole is sourced from PubChem (CID 135057751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).