5-bromo-3-[1-(5-bromo-1H-indol-3-yl)-2,2,2-trifluoroethyl]-1H-indole

C18H11Br2F3N2 — CID 15687725

IUPAC5-bromo-3-[1-(5-bromo-1H-indol-3-yl)-2,2,2-trifluoroethyl]-1H-indole
SMILESFC(F)(F)C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C18H11Br2F3N2/c19-9-1-3-15-11(5-9)13(7-24-15)17(18(21,22)23)14-8-25-16-4-2-10(20)6-12(14)16/h1-8,17,24-25H
InChIKeyMKYQFWUUPYMQGI-UHFFFAOYSA-N
MW472.10 g/mol
LogP6.87
Rot. Bonds2

About 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)-2,2,2-trifluoroethyl]-1H-indole

5-bromo-3-[1-(5-bromo-1H-indol-3-yl)-2,2,2-trifluoroethyl]-1H-indole (PubChem CID 15687725) has the molecular formula C18H11Br2F3N2 and a molecular weight of 472.10 g/mol. Its IUPAC name is 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)-2,2,2-trifluoroethyl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[1-(5-bromo-1H-indol-3-yl)-2,2,2-trifluoroethyl]-1H-indole
PubChem CID15687725
Molecular FormulaC18H11Br2F3N2
Molecular Weight472.10 g/mol
Exact Mass469.92
IUPAC Name5-bromo-3-[1-(5-bromo-1H-indol-3-yl)-2,2,2-trifluoroethyl]-1H-indole
SMILESFC(F)(F)C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C18H11Br2F3N2/c19-9-1-3-15-11(5-9)13(7-24-15)17(18(21,22)23)14-8-25-16-4-2-10(20)6-12(14)16/h1-8,17,24-25H
InChIKeyMKYQFWUUPYMQGI-UHFFFAOYSA-N
XLogP6.87
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.10
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)-2,2,2-trifluoroethyl]-1H-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 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)-2,2,2-trifluoroethyl]-1H-indole?
The IUPAC name of 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)-2,2,2-trifluoroethyl]-1H-indole (CID 15687725) is 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)-2,2,2-trifluoroethyl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)-2,2,2-trifluoroethyl]-1H-indole?
The canonical SMILES for 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)-2,2,2-trifluoroethyl]-1H-indole is FC(F)(F)C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)-2,2,2-trifluoroethyl]-1H-indole?
The InChIKey is MKYQFWUUPYMQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Br2F3N2/c19-9-1-3-15-11(5-9)13(7-24-15)17(18(21,22)23)14-8-25-16-4-2-10(20)6-12(14)16/h1-8,17,24-25H.
What are the key properties of 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)-2,2,2-trifluoroethyl]-1H-indole?
5-bromo-3-[1-(5-bromo-1H-indol-3-yl)-2,2,2-trifluoroethyl]-1H-indole has a molecular weight of 472.10 g/mol, XLogP of 6.87, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)-2,2,2-trifluoroethyl]-1H-indole is sourced from PubChem (CID 15687725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).