5-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole

C23H18BrN — CID 101435557

IUPAC5-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole
SMILESBrc1ccc2[nH]cc([C@@H](/C=C/c3ccccc3)c3ccccc3)c2c1
InChIInChI=1S/C23H18BrN/c24-19-12-14-23-21(15-19)22(16-25-23)20(18-9-5-2-6-10-18)13-11-17-7-3-1-4-8-17/h1-16,20,25H/b13-11+/t20-/m0/s1
InChIKeyYOSLFJPHTVWHCO-RPAADVPWSA-N
MW388.31 g/mol
LogP6.78
Rot. Bonds4

About 5-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole

5-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole (PubChem CID 101435557) has the molecular formula C23H18BrN and a molecular weight of 388.31 g/mol. Its IUPAC name is 5-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole
PubChem CID101435557
Molecular FormulaC23H18BrN
Molecular Weight388.31 g/mol
Exact Mass387.06
IUPAC Name5-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole
SMILESBrc1ccc2[nH]cc([C@@H](/C=C/c3ccccc3)c3ccccc3)c2c1
InChIInChI=1S/C23H18BrN/c24-19-12-14-23-21(15-19)22(16-25-23)20(18-9-5-2-6-10-18)13-11-17-7-3-1-4-8-17/h1-16,20,25H/b13-11+/t20-/m0/s1
InChIKeyYOSLFJPHTVWHCO-RPAADVPWSA-N
XLogP6.78
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.31
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3-[(E,1R)-1,3-diphenylprop-2-enyl]-6-methyl-1H-indole
CID 102428892
3-[(E)-1-(1H-indol-3-yl)-3-phenylprop-2-enyl]-1H-indole
CID 11360037
4-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole
CID 177440064
(2R)-2-(5-bromo-1H-indol-3-yl)-2-phenylethanol
CID 10892445
5-bromo-3-(1-phenylnon-1-en-4-yn-3-yl)-1H-indole
CID 74111288
(1R,2S)-2-(5-bromo-1H-indol-3-yl)-1,2-diphenylethanol
CID 102147782
1-bromo-4-[(E)-3,3-diphenylprop-1-enyl]benzene
CID 132851009
5-bromo-3-(1,3-diphenylpropyl)-1H-indole
CID 102325643
N-[1-(5-bromo-1H-indol-3-yl)ethyl]-1-phenylmethanimine oxide
CID 74386681
3-[(E)-1-phenylbut-2-enyl]-1H-indole
CID 10776889
N-[1-(5-bromo-1H-indol-3-yl)propyl]-1-phenylmethanimine oxide
CID 59362323
(3R)-3-(5-bromo-1H-indol-3-yl)-1,3-diphenylpropan-1-one
CID 50901334

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole?
The IUPAC name of 5-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole (CID 101435557) is 5-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole?
The canonical SMILES for 5-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole is Brc1ccc2[nH]cc([C@@H](/C=C/c3ccccc3)c3ccccc3)c2c1.
What is the InChIKey of 5-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole?
The InChIKey is YOSLFJPHTVWHCO-RPAADVPWSA-N. The full InChI is InChI=1S/C23H18BrN/c24-19-12-14-23-21(15-19)22(16-25-23)20(18-9-5-2-6-10-18)13-11-17-7-3-1-4-8-17/h1-16,20,25H/b13-11+/t20-/m0/s1.
What are the key properties of 5-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole?
5-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole has a molecular weight of 388.31 g/mol, XLogP of 6.78, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole is sourced from PubChem (CID 101435557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).