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

C18H14Br2N2 — CID 50916213

IUPAC5-bromo-3-[1-(5-bromo-1H-indol-3-yl)ethyl]-1H-indole
SMILESCC(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C18H14Br2N2/c1-10(15-8-21-17-4-2-11(19)6-13(15)17)16-9-22-18-5-3-12(20)7-14(16)18/h2-10,21-22H,1H3
InChIKeyPRHMBRBLBGXSGW-UHFFFAOYSA-N
MW418.13 g/mol
LogP6.33
Rot. Bonds2

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

5-bromo-3-[1-(5-bromo-1H-indol-3-yl)ethyl]-1H-indole (PubChem CID 50916213) has the molecular formula C18H14Br2N2 and a molecular weight of 418.13 g/mol. Its IUPAC name is 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)ethyl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[1-(5-bromo-1H-indol-3-yl)ethyl]-1H-indole
PubChem CID50916213
Molecular FormulaC18H14Br2N2
Molecular Weight418.13 g/mol
Exact Mass415.95
IUPAC Name5-bromo-3-[1-(5-bromo-1H-indol-3-yl)ethyl]-1H-indole
SMILESCC(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C18H14Br2N2/c1-10(15-8-21-17-4-2-11(19)6-13(15)17)16-9-22-18-5-3-12(20)7-14(16)18/h2-10,21-22H,1H3
InChIKeyPRHMBRBLBGXSGW-UHFFFAOYSA-N
XLogP6.33
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.13
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

3,3'-Diindolylmethane
CID 3071
5-Bromoindole
CID 24905
5-Bromotryptamine
CID 77158
6-bromo-1H,2H,3H,4H,9H-pyrido(3,4-b)indole
CID 14680201
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
3,6-Dibromocarbazole
CID 274874
9-Bromoellipticine
CID 97080
3-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 6618861
3-(4-pyridyl)-1H-indole
CID 644354

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)ethyl]-1H-indole?
The IUPAC name of 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)ethyl]-1H-indole (CID 50916213) is 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)ethyl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)ethyl]-1H-indole?
The canonical SMILES for 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)ethyl]-1H-indole is CC(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)ethyl]-1H-indole?
The InChIKey is PRHMBRBLBGXSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Br2N2/c1-10(15-8-21-17-4-2-11(19)6-13(15)17)16-9-22-18-5-3-12(20)7-14(16)18/h2-10,21-22H,1H3.
What are the key properties of 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)ethyl]-1H-indole?
5-bromo-3-[1-(5-bromo-1H-indol-3-yl)ethyl]-1H-indole has a molecular weight of 418.13 g/mol, XLogP of 6.33, 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)ethyl]-1H-indole is sourced from PubChem (CID 50916213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).