2-(2-bromophenyl)-3-phenyl-1H-indole

C20H14BrN — CID 622592

IUPAC2-(2-bromophenyl)-3-phenyl-1H-indole
SMILESBrc1ccccc1-c1[nH]c2ccccc2c1-c1ccccc1
InChIInChI=1S/C20H14BrN/c21-17-12-6-4-10-15(17)20-19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)22-20/h1-13,22H
InChIKeyGYRQPQVECDBBLZ-UHFFFAOYSA-N
MW348.24 g/mol
LogP6.26
Rot. Bonds2

About 2-(2-bromophenyl)-3-phenyl-1H-indole

2-(2-bromophenyl)-3-phenyl-1H-indole (PubChem CID 622592) has the molecular formula C20H14BrN and a molecular weight of 348.24 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3-phenyl-1H-indole.

Molecular Properties

Compound Name2-(2-bromophenyl)-3-phenyl-1H-indole
PubChem CID622592
Molecular FormulaC20H14BrN
Molecular Weight348.24 g/mol
Exact Mass347.03
IUPAC Name2-(2-bromophenyl)-3-phenyl-1H-indole
SMILESBrc1ccccc1-c1[nH]c2ccccc2c1-c1ccccc1
InChIInChI=1S/C20H14BrN/c21-17-12-6-4-10-15(17)20-19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)22-20/h1-13,22H
InChIKeyGYRQPQVECDBBLZ-UHFFFAOYSA-N
XLogP6.26
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.24
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-3-phenyl-1H-indole?
The IUPAC name of 2-(2-bromophenyl)-3-phenyl-1H-indole (CID 622592) is 2-(2-bromophenyl)-3-phenyl-1H-indole.
What is the SMILES notation for 2-(2-bromophenyl)-3-phenyl-1H-indole?
The canonical SMILES for 2-(2-bromophenyl)-3-phenyl-1H-indole is Brc1ccccc1-c1[nH]c2ccccc2c1-c1ccccc1.
What is the InChIKey of 2-(2-bromophenyl)-3-phenyl-1H-indole?
The InChIKey is GYRQPQVECDBBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN/c21-17-12-6-4-10-15(17)20-19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)22-20/h1-13,22H.
What are the key properties of 2-(2-bromophenyl)-3-phenyl-1H-indole?
2-(2-bromophenyl)-3-phenyl-1H-indole has a molecular weight of 348.24 g/mol, XLogP of 6.26, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-3-phenyl-1H-indole is sourced from PubChem (CID 622592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).