5-bromo-3-[1-(5-bromo-1H-indol-3-yl)butyl]-1H-indole

C20H18Br2N2 — CID 73356895

IUPAC5-bromo-3-[1-(5-bromo-1H-indol-3-yl)butyl]-1H-indole
SMILESCCCC(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C20H18Br2N2/c1-2-3-14(17-10-23-19-6-4-12(21)8-15(17)19)18-11-24-20-7-5-13(22)9-16(18)20/h4-11,14,23-24H,2-3H2,1H3
InChIKeyGYLNNZSOTKUCRO-UHFFFAOYSA-N
MW446.19 g/mol
LogP7.11
Rot. Bonds4

About 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)butyl]-1H-indole

5-bromo-3-[1-(5-bromo-1H-indol-3-yl)butyl]-1H-indole (PubChem CID 73356895) has the molecular formula C20H18Br2N2 and a molecular weight of 446.19 g/mol. Its IUPAC name is 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)butyl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[1-(5-bromo-1H-indol-3-yl)butyl]-1H-indole
PubChem CID73356895
Molecular FormulaC20H18Br2N2
Molecular Weight446.19 g/mol
Exact Mass443.98
IUPAC Name5-bromo-3-[1-(5-bromo-1H-indol-3-yl)butyl]-1H-indole
SMILESCCCC(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C20H18Br2N2/c1-2-3-14(17-10-23-19-6-4-12(21)8-15(17)19)18-11-24-20-7-5-13(22)9-16(18)20/h4-11,14,23-24H,2-3H2,1H3
InChIKeyGYLNNZSOTKUCRO-UHFFFAOYSA-N
XLogP7.11
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.19
LogP ≤ 57.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)butyl]-1H-indole?
The IUPAC name of 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)butyl]-1H-indole (CID 73356895) is 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)butyl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)butyl]-1H-indole?
The canonical SMILES for 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)butyl]-1H-indole is CCCC(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)butyl]-1H-indole?
The InChIKey is GYLNNZSOTKUCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Br2N2/c1-2-3-14(17-10-23-19-6-4-12(21)8-15(17)19)18-11-24-20-7-5-13(22)9-16(18)20/h4-11,14,23-24H,2-3H2,1H3.
What are the key properties of 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)butyl]-1H-indole?
5-bromo-3-[1-(5-bromo-1H-indol-3-yl)butyl]-1H-indole has a molecular weight of 446.19 g/mol, XLogP of 7.11, 4 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)butyl]-1H-indole is sourced from PubChem (CID 73356895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).