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

C23H18BrN — CID 177440064

IUPAC4-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole
SMILESBrc1cccc2[nH]cc([C@@H](/C=C/c3ccccc3)c3ccccc3)c12
InChIInChI=1S/C23H18BrN/c24-21-12-7-13-22-23(21)20(16-25-22)19(18-10-5-2-6-11-18)15-14-17-8-3-1-4-9-17/h1-16,19,25H/b15-14+/t19-/m0/s1
InChIKeyPBAKMOCLWHHCKD-IQGVVSCOSA-N
MW388.31 g/mol
LogP6.78
Rot. Bonds4

About 4-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole

4-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole (PubChem CID 177440064) has the molecular formula C23H18BrN and a molecular weight of 388.31 g/mol. Its IUPAC name is 4-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole.

Molecular Properties

Compound Name4-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole
PubChem CID177440064
Molecular FormulaC23H18BrN
Molecular Weight388.31 g/mol
Exact Mass387.06
IUPAC Name4-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole
SMILESBrc1cccc2[nH]cc([C@@H](/C=C/c3ccccc3)c3ccccc3)c12
InChIInChI=1S/C23H18BrN/c24-21-12-7-13-22-23(21)20(16-25-22)19(18-10-5-2-6-11-18)15-14-17-8-3-1-4-9-17/h1-16,19,25H/b15-14+/t19-/m0/s1
InChIKeyPBAKMOCLWHHCKD-IQGVVSCOSA-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

5-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole
CID 101435557
3-[(E)-1-(1H-indol-3-yl)-3-phenylprop-2-enyl]-1H-indole
CID 11360037
3-[(E,1R)-1,3-diphenylprop-2-enyl]-6-methyl-1H-indole
CID 102428892
4-bromo-3-(2-nitro-1-phenylethyl)-1H-indole
CID 76517350
3-[(E)-1-phenylbut-2-enyl]-1H-indole
CID 10776889
4-chloro-3-[(1S)-1-phenylprop-2-enyl]-1H-indole
CID 134968895
1-bromo-4-[(E)-3,3-diphenylprop-1-enyl]benzene
CID 132851009
1-chloro-2-[(E)-1,3-diphenylprop-2-enyl]benzene
CID 174797210
4-bromo-3-fluoro-1H-indole
CID 66817286
1-chloro-4-[(E,1R)-1,3-diphenylprop-2-enyl]benzene
CID 102471698
4-bromo-3-(1-phenylethyl)-1H-pyrrolo[2,3-c]pyridine
CID 102368288
methyl 3-amino-2-(4-bromo-1H-indol-3-yl)propanoate
CID 156758001

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole?
The IUPAC name of 4-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole (CID 177440064) is 4-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole.
What is the SMILES notation for 4-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole?
The canonical SMILES for 4-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole is Brc1cccc2[nH]cc([C@@H](/C=C/c3ccccc3)c3ccccc3)c12.
What is the InChIKey of 4-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole?
The InChIKey is PBAKMOCLWHHCKD-IQGVVSCOSA-N. The full InChI is InChI=1S/C23H18BrN/c24-21-12-7-13-22-23(21)20(16-25-22)19(18-10-5-2-6-11-18)15-14-17-8-3-1-4-9-17/h1-16,19,25H/b15-14+/t19-/m0/s1.
What are the key properties of 4-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole?
4-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 4-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole is sourced from PubChem (CID 177440064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).