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

C24H26Br2N2 — CID 73350867

IUPAC5-bromo-3-[1-(5-bromo-1H-indol-3-yl)octyl]-1H-indole
SMILESCCCCCCCC(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C24H26Br2N2/c1-2-3-4-5-6-7-18(21-14-27-23-10-8-16(25)12-19(21)23)22-15-28-24-11-9-17(26)13-20(22)24/h8-15,18,27-28H,2-7H2,1H3
InChIKeyGVERUYZUNSDJHT-UHFFFAOYSA-N
MW502.29 g/mol
LogP8.67
Rot. Bonds8

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

5-bromo-3-[1-(5-bromo-1H-indol-3-yl)octyl]-1H-indole (PubChem CID 73350867) has the molecular formula C24H26Br2N2 and a molecular weight of 502.29 g/mol. Its IUPAC name is 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)octyl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[1-(5-bromo-1H-indol-3-yl)octyl]-1H-indole
PubChem CID73350867
Molecular FormulaC24H26Br2N2
Molecular Weight502.29 g/mol
Exact Mass500.05
IUPAC Name5-bromo-3-[1-(5-bromo-1H-indol-3-yl)octyl]-1H-indole
SMILESCCCCCCCC(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C24H26Br2N2/c1-2-3-4-5-6-7-18(21-14-27-23-10-8-16(25)12-19(21)23)22-15-28-24-11-9-17(26)13-20(22)24/h8-15,18,27-28H,2-7H2,1H3
InChIKeyGVERUYZUNSDJHT-UHFFFAOYSA-N
XLogP8.67
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.29
LogP ≤ 58.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,3'-Diindolylmethane
CID 3071
5-Bromoindole
CID 24905
N,N-Dipropyltryptamine
CID 6091
5-Bromotryptamine
CID 77158
6-bromo-1H,2H,3H,4H,9H-pyrido(3,4-b)indole
CID 14680201
3-(1-Methylpyrrolidin-3-yl)-1H-indole
CID 19337
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
5-(3-Benzylpyrrolidin-3-YL)-1H-indole (structural mix)
CID 44230732
3-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 6618861

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)octyl]-1H-indole?
The IUPAC name of 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)octyl]-1H-indole (CID 73350867) is 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)octyl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)octyl]-1H-indole?
The canonical SMILES for 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)octyl]-1H-indole is CCCCCCCC(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)octyl]-1H-indole?
The InChIKey is GVERUYZUNSDJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Br2N2/c1-2-3-4-5-6-7-18(21-14-27-23-10-8-16(25)12-19(21)23)22-15-28-24-11-9-17(26)13-20(22)24/h8-15,18,27-28H,2-7H2,1H3.
What are the key properties of 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)octyl]-1H-indole?
5-bromo-3-[1-(5-bromo-1H-indol-3-yl)octyl]-1H-indole has a molecular weight of 502.29 g/mol, XLogP of 8.67, 8 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)octyl]-1H-indole is sourced from PubChem (CID 73350867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).