4-bromo-3-[3-(4-bromo-1H-indol-3-yl)-2-nitropropyl]-1H-indole

C19H15Br2N3O2 — CID 164612195

IUPAC4-bromo-3-[3-(4-bromo-1H-indol-3-yl)-2-nitropropyl]-1H-indole
SMILESO=[N+]([O-])C(Cc1c[nH]c2cccc(Br)c12)Cc1c[nH]c2cccc(Br)c12
InChIInChI=1S/C19H15Br2N3O2/c20-14-3-1-5-16-18(14)11(9-22-16)7-13(24(25)26)8-12-10-23-17-6-2-4-15(21)19(12)17/h1-6,9-10,13,22-23H,7-8H2
InChIKeyAIPRGTCSFJXROE-UHFFFAOYSA-N
MW477.16 g/mol
LogP5.60
Rot. Bonds5

About 4-bromo-3-[3-(4-bromo-1H-indol-3-yl)-2-nitropropyl]-1H-indole

4-bromo-3-[3-(4-bromo-1H-indol-3-yl)-2-nitropropyl]-1H-indole (PubChem CID 164612195) has the molecular formula C19H15Br2N3O2 and a molecular weight of 477.16 g/mol. Its IUPAC name is 4-bromo-3-[3-(4-bromo-1H-indol-3-yl)-2-nitropropyl]-1H-indole.

Molecular Properties

Compound Name4-bromo-3-[3-(4-bromo-1H-indol-3-yl)-2-nitropropyl]-1H-indole
PubChem CID164612195
Molecular FormulaC19H15Br2N3O2
Molecular Weight477.16 g/mol
Exact Mass474.95
IUPAC Name4-bromo-3-[3-(4-bromo-1H-indol-3-yl)-2-nitropropyl]-1H-indole
SMILESO=[N+]([O-])C(Cc1c[nH]c2cccc(Br)c12)Cc1c[nH]c2cccc(Br)c12
InChIInChI=1S/C19H15Br2N3O2/c20-14-3-1-5-16-18(14)11(9-22-16)7-13(24(25)26)8-12-10-23-17-6-2-4-15(21)19(12)17/h1-6,9-10,13,22-23H,7-8H2
InChIKeyAIPRGTCSFJXROE-UHFFFAOYSA-N
XLogP5.60
TPSA74.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.16
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-bromo-3-[3-(4-bromo-1H-indol-3-yl)-2-nitropropyl]-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

Related Compounds

2-(4-bromo-1H-indol-3-yl)acetaldehyde
CID 117194859
2-(4-bromo-1H-indol-3-yl)acetonitrile
CID 11020839
3-(4-bromo-1H-indol-3-yl)propanoic acid
CID 28806342
4-bromo-3-(2-nitro-1-phenylethyl)-1H-indole
CID 76517350
(2R)-3-(1H-indol-3-yl)-N,N-dimethyl-2-nitropropan-1-amine
CID 102591334
N-[(4-bromo-1H-indol-3-yl)methyl]-4-methylbenzenesulfonamide
CID 169029436
3-(chloromethyl)-4-nitro-1H-indole
CID 130049366
4-bromo-3-methyl-1H-indole
CID 52987704
4-bromo-3-fluoro-1H-indole
CID 66817286
4-bromo-3-(1H-indol-2-ylmethyl)-1H-indole
CID 134502321
4-bromo-3-(2-ethylphenyl)sulfanyl-1H-indole
CID 91609343
(2S)-2-azaniumyl-3-(4-methyl-1H-indol-3-yl)propanoate
CID 6951138

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[3-(4-bromo-1H-indol-3-yl)-2-nitropropyl]-1H-indole?
The IUPAC name of 4-bromo-3-[3-(4-bromo-1H-indol-3-yl)-2-nitropropyl]-1H-indole (CID 164612195) is 4-bromo-3-[3-(4-bromo-1H-indol-3-yl)-2-nitropropyl]-1H-indole.
What is the SMILES notation for 4-bromo-3-[3-(4-bromo-1H-indol-3-yl)-2-nitropropyl]-1H-indole?
The canonical SMILES for 4-bromo-3-[3-(4-bromo-1H-indol-3-yl)-2-nitropropyl]-1H-indole is O=[N+]([O-])C(Cc1c[nH]c2cccc(Br)c12)Cc1c[nH]c2cccc(Br)c12.
What is the InChIKey of 4-bromo-3-[3-(4-bromo-1H-indol-3-yl)-2-nitropropyl]-1H-indole?
The InChIKey is AIPRGTCSFJXROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Br2N3O2/c20-14-3-1-5-16-18(14)11(9-22-16)7-13(24(25)26)8-12-10-23-17-6-2-4-15(21)19(12)17/h1-6,9-10,13,22-23H,7-8H2.
What are the key properties of 4-bromo-3-[3-(4-bromo-1H-indol-3-yl)-2-nitropropyl]-1H-indole?
4-bromo-3-[3-(4-bromo-1H-indol-3-yl)-2-nitropropyl]-1H-indole has a molecular weight of 477.16 g/mol, XLogP of 5.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[3-(4-bromo-1H-indol-3-yl)-2-nitropropyl]-1H-indole is sourced from PubChem (CID 164612195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).