5-bromo-3-(4-phenylphenyl)sulfanyl-1H-indole

C20H14BrNS — CID 155411151

IUPAC5-bromo-3-(4-phenylphenyl)sulfanyl-1H-indole
SMILESBrc1ccc2[nH]cc(Sc3ccc(-c4ccccc4)cc3)c2c1
InChIInChI=1S/C20H14BrNS/c21-16-8-11-19-18(12-16)20(13-22-19)23-17-9-6-15(7-10-17)14-4-2-1-3-5-14/h1-13,22H
InChIKeyBATHNUCQNMYBCW-UHFFFAOYSA-N
MW380.31 g/mol
LogP6.75
Rot. Bonds3

About 5-bromo-3-(4-phenylphenyl)sulfanyl-1H-indole

5-bromo-3-(4-phenylphenyl)sulfanyl-1H-indole (PubChem CID 155411151) has the molecular formula C20H14BrNS and a molecular weight of 380.31 g/mol. Its IUPAC name is 5-bromo-3-(4-phenylphenyl)sulfanyl-1H-indole.

Molecular Properties

Compound Name5-bromo-3-(4-phenylphenyl)sulfanyl-1H-indole
PubChem CID155411151
Molecular FormulaC20H14BrNS
Molecular Weight380.31 g/mol
Exact Mass379.00
IUPAC Name5-bromo-3-(4-phenylphenyl)sulfanyl-1H-indole
SMILESBrc1ccc2[nH]cc(Sc3ccc(-c4ccccc4)cc3)c2c1
InChIInChI=1S/C20H14BrNS/c21-16-8-11-19-18(12-16)20(13-22-19)23-17-9-6-15(7-10-17)14-4-2-1-3-5-14/h1-13,22H
InChIKeyBATHNUCQNMYBCW-UHFFFAOYSA-N
XLogP6.75
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.31
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4-phenylphenyl)sulfanyl-1H-indole?
The IUPAC name of 5-bromo-3-(4-phenylphenyl)sulfanyl-1H-indole (CID 155411151) is 5-bromo-3-(4-phenylphenyl)sulfanyl-1H-indole.
What is the SMILES notation for 5-bromo-3-(4-phenylphenyl)sulfanyl-1H-indole?
The canonical SMILES for 5-bromo-3-(4-phenylphenyl)sulfanyl-1H-indole is Brc1ccc2[nH]cc(Sc3ccc(-c4ccccc4)cc3)c2c1.
What is the InChIKey of 5-bromo-3-(4-phenylphenyl)sulfanyl-1H-indole?
The InChIKey is BATHNUCQNMYBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrNS/c21-16-8-11-19-18(12-16)20(13-22-19)23-17-9-6-15(7-10-17)14-4-2-1-3-5-14/h1-13,22H.
What are the key properties of 5-bromo-3-(4-phenylphenyl)sulfanyl-1H-indole?
5-bromo-3-(4-phenylphenyl)sulfanyl-1H-indole has a molecular weight of 380.31 g/mol, XLogP of 6.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4-phenylphenyl)sulfanyl-1H-indole is sourced from PubChem (CID 155411151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).