5-(1H-indol-6-yl)-1-methyl-2-phenyl-3-phenylsulfanylindole

C29H22N2S — CID 53301426

IUPAC5-(1H-indol-6-yl)-1-methyl-2-phenyl-3-phenylsulfanylindole
SMILESCn1c(-c2ccccc2)c(Sc2ccccc2)c2cc(-c3ccc4cc[nH]c4c3)ccc21
InChIInChI=1S/C29H22N2S/c1-31-27-15-14-22(23-13-12-20-16-17-30-26(20)19-23)18-25(27)29(32-24-10-6-3-7-11-24)28(31)21-8-4-2-5-9-21/h2-19,30H,1H3
InChIKeyFVWSXKYYCAIXSH-UHFFFAOYSA-N
MW430.58 g/mol
LogP8.14
Rot. Bonds4

About 5-(1H-indol-6-yl)-1-methyl-2-phenyl-3-phenylsulfanylindole

5-(1H-indol-6-yl)-1-methyl-2-phenyl-3-phenylsulfanylindole (PubChem CID 53301426) has the molecular formula C29H22N2S and a molecular weight of 430.58 g/mol. Its IUPAC name is 5-(1H-indol-6-yl)-1-methyl-2-phenyl-3-phenylsulfanylindole.

Molecular Properties

Compound Name5-(1H-indol-6-yl)-1-methyl-2-phenyl-3-phenylsulfanylindole
PubChem CID53301426
Molecular FormulaC29H22N2S
Molecular Weight430.58 g/mol
Exact Mass430.15
IUPAC Name5-(1H-indol-6-yl)-1-methyl-2-phenyl-3-phenylsulfanylindole
SMILESCn1c(-c2ccccc2)c(Sc2ccccc2)c2cc(-c3ccc4cc[nH]c4c3)ccc21
InChIInChI=1S/C29H22N2S/c1-31-27-15-14-22(23-13-12-20-16-17-30-26(20)19-23)18-25(27)29(32-24-10-6-3-7-11-24)28(31)21-8-4-2-5-9-21/h2-19,30H,1H3
InChIKeyFVWSXKYYCAIXSH-UHFFFAOYSA-N
XLogP8.14
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.58
LogP ≤ 58.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(1H-indol-6-yl)-1-methyl-2-phenyl-3-phenylsulfanylindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-6-yl)-1-methyl-2-phenyl-3-phenylsulfanylindole?
The IUPAC name of 5-(1H-indol-6-yl)-1-methyl-2-phenyl-3-phenylsulfanylindole (CID 53301426) is 5-(1H-indol-6-yl)-1-methyl-2-phenyl-3-phenylsulfanylindole.
What is the SMILES notation for 5-(1H-indol-6-yl)-1-methyl-2-phenyl-3-phenylsulfanylindole?
The canonical SMILES for 5-(1H-indol-6-yl)-1-methyl-2-phenyl-3-phenylsulfanylindole is Cn1c(-c2ccccc2)c(Sc2ccccc2)c2cc(-c3ccc4cc[nH]c4c3)ccc21.
What is the InChIKey of 5-(1H-indol-6-yl)-1-methyl-2-phenyl-3-phenylsulfanylindole?
The InChIKey is FVWSXKYYCAIXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2S/c1-31-27-15-14-22(23-13-12-20-16-17-30-26(20)19-23)18-25(27)29(32-24-10-6-3-7-11-24)28(31)21-8-4-2-5-9-21/h2-19,30H,1H3.
What are the key properties of 5-(1H-indol-6-yl)-1-methyl-2-phenyl-3-phenylsulfanylindole?
5-(1H-indol-6-yl)-1-methyl-2-phenyl-3-phenylsulfanylindole has a molecular weight of 430.58 g/mol, XLogP of 8.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-6-yl)-1-methyl-2-phenyl-3-phenylsulfanylindole is sourced from PubChem (CID 53301426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).