2-[2-(4-bromophenyl)ethenyl]-3,3-dimethylindole

C18H16BrN — CID 73185218

IUPAC2-[2-(4-bromophenyl)ethenyl]-3,3-dimethylindole
SMILESCC1(C)C(C=Cc2ccc(Br)cc2)=Nc2ccccc21
InChIInChI=1S/C18H16BrN/c1-18(2)15-5-3-4-6-16(15)20-17(18)12-9-13-7-10-14(19)11-8-13/h3-12H,1-2H3
InChIKeyQYLVXMCFKLHSLM-UHFFFAOYSA-N
MW326.24 g/mol
LogP5.53
Rot. Bonds2

About 2-[2-(4-bromophenyl)ethenyl]-3,3-dimethylindole

2-[2-(4-bromophenyl)ethenyl]-3,3-dimethylindole (PubChem CID 73185218) has the molecular formula C18H16BrN and a molecular weight of 326.24 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)ethenyl]-3,3-dimethylindole.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)ethenyl]-3,3-dimethylindole
PubChem CID73185218
Molecular FormulaC18H16BrN
Molecular Weight326.24 g/mol
Exact Mass325.05
IUPAC Name2-[2-(4-bromophenyl)ethenyl]-3,3-dimethylindole
SMILESCC1(C)C(C=Cc2ccc(Br)cc2)=Nc2ccccc21
InChIInChI=1S/C18H16BrN/c1-18(2)15-5-3-4-6-16(15)20-17(18)12-9-13-7-10-14(19)11-8-13/h3-12H,1-2H3
InChIKeyQYLVXMCFKLHSLM-UHFFFAOYSA-N
XLogP5.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.24
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[2-(4-bromophenyl)ethenyl]-3,3-dimethylindole 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

3H-Indole, 3,3-dimethyl-2-phenyl-
CID 138796
4A-Methyl-2,3,4,4A-tetrahydro-1H-carbazole
CID 3292772
5-Bromo-2,3,3-trimethyl-3H-indole
CID 11230141
2-[(E)-2-(4-bromophenyl)ethenyl]-3,3-dimethylindole
CID 13593039
7-bromo-2,3,3-trimethyl-3H-indole
CID 20553392
3,3-dimethyl-2-[(E)-2-(3-methylphenyl)ethenyl]indole
CID 71739819
3,3-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]indole
CID 71739689
7-Bromo-1,1,2-trimethyl-1H-benzo[e]indole
CID 27281663
4a-phenyl-2,3,4,4a-tetrahydro-1H-carbazole
CID 338157
2,3-Dimethyl-3-phenylindole
CID 345250
Benzenamine, N-[1-(4-bromophenyl)ethylidene]-
CID 641181
2,3,3-Trimethyl-5-phenyl-3H-indole
CID 3100870

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)ethenyl]-3,3-dimethylindole?
The IUPAC name of 2-[2-(4-bromophenyl)ethenyl]-3,3-dimethylindole (CID 73185218) is 2-[2-(4-bromophenyl)ethenyl]-3,3-dimethylindole.
What is the SMILES notation for 2-[2-(4-bromophenyl)ethenyl]-3,3-dimethylindole?
The canonical SMILES for 2-[2-(4-bromophenyl)ethenyl]-3,3-dimethylindole is CC1(C)C(C=Cc2ccc(Br)cc2)=Nc2ccccc21.
What is the InChIKey of 2-[2-(4-bromophenyl)ethenyl]-3,3-dimethylindole?
The InChIKey is QYLVXMCFKLHSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN/c1-18(2)15-5-3-4-6-16(15)20-17(18)12-9-13-7-10-14(19)11-8-13/h3-12H,1-2H3.
What are the key properties of 2-[2-(4-bromophenyl)ethenyl]-3,3-dimethylindole?
2-[2-(4-bromophenyl)ethenyl]-3,3-dimethylindole has a molecular weight of 326.24 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)ethenyl]-3,3-dimethylindole is sourced from PubChem (CID 73185218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).