3-amino-3-thiophen-3-yl-1-tritylindol-2-one

C31H24N2OS — CID 175254497

IUPAC3-amino-3-thiophen-3-yl-1-tritylindol-2-one
SMILESNC1(c2ccsc2)C(=O)N(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C31H24N2OS/c32-30(26-20-21-35-22-26)27-18-10-11-19-28(27)33(29(30)34)31(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-22H,32H2
InChIKeyVKVPVITZXDJDHP-UHFFFAOYSA-N
MW472.61 g/mol
LogP6.29
Rot. Bonds5

About 3-amino-3-thiophen-3-yl-1-tritylindol-2-one

3-amino-3-thiophen-3-yl-1-tritylindol-2-one (PubChem CID 175254497) has the molecular formula C31H24N2OS and a molecular weight of 472.61 g/mol. Its IUPAC name is 3-amino-3-thiophen-3-yl-1-tritylindol-2-one.

Molecular Properties

Compound Name3-amino-3-thiophen-3-yl-1-tritylindol-2-one
PubChem CID175254497
Molecular FormulaC31H24N2OS
Molecular Weight472.61 g/mol
Exact Mass472.16
IUPAC Name3-amino-3-thiophen-3-yl-1-tritylindol-2-one
SMILESNC1(c2ccsc2)C(=O)N(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C31H24N2OS/c32-30(26-20-21-35-22-26)27-18-10-11-19-28(27)33(29(30)34)31(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-22H,32H2
InChIKeyVKVPVITZXDJDHP-UHFFFAOYSA-N
XLogP6.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.61
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 3-amino-3-thiophen-3-yl-1-tritylindol-2-one 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 3-amino-3-thiophen-3-yl-1-tritylindol-2-one?
The IUPAC name of 3-amino-3-thiophen-3-yl-1-tritylindol-2-one (CID 175254497) is 3-amino-3-thiophen-3-yl-1-tritylindol-2-one.
What is the SMILES notation for 3-amino-3-thiophen-3-yl-1-tritylindol-2-one?
The canonical SMILES for 3-amino-3-thiophen-3-yl-1-tritylindol-2-one is NC1(c2ccsc2)C(=O)N(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc21.
What is the InChIKey of 3-amino-3-thiophen-3-yl-1-tritylindol-2-one?
The InChIKey is VKVPVITZXDJDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N2OS/c32-30(26-20-21-35-22-26)27-18-10-11-19-28(27)33(29(30)34)31(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-22H,32H2.
What are the key properties of 3-amino-3-thiophen-3-yl-1-tritylindol-2-one?
3-amino-3-thiophen-3-yl-1-tritylindol-2-one has a molecular weight of 472.61 g/mol, XLogP of 6.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-thiophen-3-yl-1-tritylindol-2-one is sourced from PubChem (CID 175254497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).