5-bromo-3-(1,3-diphenylpropyl)-1H-indole

C23H20BrN — CID 102325643

IUPAC5-bromo-3-(1,3-diphenylpropyl)-1H-indole
SMILESBrc1ccc2[nH]cc(C(CCc3ccccc3)c3ccccc3)c2c1
InChIInChI=1S/C23H20BrN/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/h1-10,12,14-16,20,25H,11,13H2
InChIKeySOPZOGJTUVPGOJ-UHFFFAOYSA-N
MW390.32 g/mol
LogP6.70
Rot. Bonds5

About 5-bromo-3-(1,3-diphenylpropyl)-1H-indole

5-bromo-3-(1,3-diphenylpropyl)-1H-indole (PubChem CID 102325643) has the molecular formula C23H20BrN and a molecular weight of 390.32 g/mol. Its IUPAC name is 5-bromo-3-(1,3-diphenylpropyl)-1H-indole.

Molecular Properties

Compound Name5-bromo-3-(1,3-diphenylpropyl)-1H-indole
PubChem CID102325643
Molecular FormulaC23H20BrN
Molecular Weight390.32 g/mol
Exact Mass389.08
IUPAC Name5-bromo-3-(1,3-diphenylpropyl)-1H-indole
SMILESBrc1ccc2[nH]cc(C(CCc3ccccc3)c3ccccc3)c2c1
InChIInChI=1S/C23H20BrN/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/h1-10,12,14-16,20,25H,11,13H2
InChIKeySOPZOGJTUVPGOJ-UHFFFAOYSA-N
XLogP6.70
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.32
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

(2R)-2-(5-bromo-1H-indol-3-yl)-2-phenylethanol
CID 10892445
(3R)-3-(5-bromo-1H-indol-3-yl)-1,3-diphenylpropan-1-one
CID 50901334
(1R,2S)-2-(5-bromo-1H-indol-3-yl)-1,2-diphenylethanol
CID 102147782
5-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole
CID 101435557
5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3-methylphenyl)methyl]-1H-indole
CID 46845933
5-bromo-3-butan-2-yl-1H-indole
CID 106985240
(3R)-3-(5-bromo-1H-indol-3-yl)butan-1-ol
CID 57332046
(1S)-1-(5-bromo-1H-indol-3-yl)-3-fluoropropan-1-amine
CID 171225867
(3R)-3-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol
CID 97297266
3-(5-methoxy-1H-indol-3-yl)-3-phenylpropan-1-ol
CID 177308406
(1R)-1-(5-bromo-1H-indol-3-yl)ethanamine
CID 79018503
5-bromo-3-(3-methylbutan-2-yl)-1H-indole
CID 106985167

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1,3-diphenylpropyl)-1H-indole?
The IUPAC name of 5-bromo-3-(1,3-diphenylpropyl)-1H-indole (CID 102325643) is 5-bromo-3-(1,3-diphenylpropyl)-1H-indole.
What is the SMILES notation for 5-bromo-3-(1,3-diphenylpropyl)-1H-indole?
The canonical SMILES for 5-bromo-3-(1,3-diphenylpropyl)-1H-indole is Brc1ccc2[nH]cc(C(CCc3ccccc3)c3ccccc3)c2c1.
What is the InChIKey of 5-bromo-3-(1,3-diphenylpropyl)-1H-indole?
The InChIKey is SOPZOGJTUVPGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN/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/h1-10,12,14-16,20,25H,11,13H2.
What are the key properties of 5-bromo-3-(1,3-diphenylpropyl)-1H-indole?
5-bromo-3-(1,3-diphenylpropyl)-1H-indole has a molecular weight of 390.32 g/mol, XLogP of 6.70, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1,3-diphenylpropyl)-1H-indole is sourced from PubChem (CID 102325643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).