5-bromo-1H-indole;5-phenylmethoxy-1H-indole

C23H19BrN2O — CID 70310428

IUPAC5-bromo-1H-indole;5-phenylmethoxy-1H-indole
SMILESBrc1ccc2[nH]ccc2c1.c1ccc(COc2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C15H13NO.C8H6BrN/c1-2-4-12(5-3-1)11-17-14-6-7-15-13(10-14)8-9-16-15;9-7-1-2-8-6(5-7)3-4-10-8/h1-10,16H,11H2;1-5,10H
InChIKeyQURLUYJDSGEILJ-UHFFFAOYSA-N
MW419.32 g/mol
LogP6.68
Rot. Bonds3

About 5-bromo-1H-indole;5-phenylmethoxy-1H-indole

5-bromo-1H-indole;5-phenylmethoxy-1H-indole (PubChem CID 70310428) has the molecular formula C23H19BrN2O and a molecular weight of 419.32 g/mol. Its IUPAC name is 5-bromo-1H-indole;5-phenylmethoxy-1H-indole.

Molecular Properties

Compound Name5-bromo-1H-indole;5-phenylmethoxy-1H-indole
PubChem CID70310428
Molecular FormulaC23H19BrN2O
Molecular Weight419.32 g/mol
Exact Mass418.07
IUPAC Name5-bromo-1H-indole;5-phenylmethoxy-1H-indole
SMILESBrc1ccc2[nH]ccc2c1.c1ccc(COc2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C15H13NO.C8H6BrN/c1-2-4-12(5-3-1)11-17-14-6-7-15-13(10-14)8-9-16-15;9-7-1-2-8-6(5-7)3-4-10-8/h1-10,16H,11H2;1-5,10H
InChIKeyQURLUYJDSGEILJ-UHFFFAOYSA-N
XLogP6.68
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.32
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-indole;5-phenylmethoxy-1H-indole?
The IUPAC name of 5-bromo-1H-indole;5-phenylmethoxy-1H-indole (CID 70310428) is 5-bromo-1H-indole;5-phenylmethoxy-1H-indole.
What is the SMILES notation for 5-bromo-1H-indole;5-phenylmethoxy-1H-indole?
The canonical SMILES for 5-bromo-1H-indole;5-phenylmethoxy-1H-indole is Brc1ccc2[nH]ccc2c1.c1ccc(COc2ccc3[nH]ccc3c2)cc1.
What is the InChIKey of 5-bromo-1H-indole;5-phenylmethoxy-1H-indole?
The InChIKey is QURLUYJDSGEILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO.C8H6BrN/c1-2-4-12(5-3-1)11-17-14-6-7-15-13(10-14)8-9-16-15;9-7-1-2-8-6(5-7)3-4-10-8/h1-10,16H,11H2;1-5,10H.
What are the key properties of 5-bromo-1H-indole;5-phenylmethoxy-1H-indole?
5-bromo-1H-indole;5-phenylmethoxy-1H-indole has a molecular weight of 419.32 g/mol, XLogP of 6.68, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1H-indole;5-phenylmethoxy-1H-indole is sourced from PubChem (CID 70310428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).