1'-tritylspiro[3H-pyran-2,3'-indole]-2',4-dione

C31H23NO3 — CID 56963952

IUPAC1'-tritylspiro[3H-pyran-2,3'-indole]-2',4-dione
SMILESO=C1C=COC2(C1)C(=O)N(C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc12
InChIInChI=1S/C31H23NO3/c33-26-20-21-35-30(22-26)27-18-10-11-19-28(27)32(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/h1-21H,22H2
InChIKeyFDSBJAOZLYQFPO-UHFFFAOYSA-N
MW457.53 g/mol
LogP5.72
Rot. Bonds4

About 1'-tritylspiro[3H-pyran-2,3'-indole]-2',4-dione

1'-tritylspiro[3H-pyran-2,3'-indole]-2',4-dione (PubChem CID 56963952) has the molecular formula C31H23NO3 and a molecular weight of 457.53 g/mol. Its IUPAC name is 1'-tritylspiro[3H-pyran-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name1'-tritylspiro[3H-pyran-2,3'-indole]-2',4-dione
PubChem CID56963952
Molecular FormulaC31H23NO3
Molecular Weight457.53 g/mol
Exact Mass457.17
IUPAC Name1'-tritylspiro[3H-pyran-2,3'-indole]-2',4-dione
SMILESO=C1C=COC2(C1)C(=O)N(C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc12
InChIInChI=1S/C31H23NO3/c33-26-20-21-35-30(22-26)27-18-10-11-19-28(27)32(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/h1-21H,22H2
InChIKeyFDSBJAOZLYQFPO-UHFFFAOYSA-N
XLogP5.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.53
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1'-tritylspiro[3H-pyran-2,3'-indole]-2',4-dione with MolForge

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

Launch Full Analysis

Related Compounds

2,2-diphenyl-3H-pyran-4-one
CID 72942613
3-amino-3-thiophen-3-yl-1-tritylindol-2-one
CID 175254497
(3R)-3-amino-3-(4-methoxyphenyl)-1-tritylindol-2-one
CID 164523167
(3R)-3-hydroxy-3-(3-methylbutanoyl)-1-tritylindol-2-one
CID 138964758
(3R)-3-hexanoyl-3-hydroxy-1-tritylindol-2-one
CID 138964754
(3S)-2'-amino-2-oxo-6'-phenyl-1-tritylspiro[indole-3,4'-pyran]-3',5'-dicarbonitrile
CID 132819654
(3R,4'S)-5-chloro-4'-phenyl-1-tritylspiro[indole-3,5'-oxolane]-2,2'-dione
CID 132533710
(R)-N-[(3R)-3-[(2R)-2,4-dimethyl-5-oxofuran-2-yl]-2-oxo-1-tritylindol-3-yl]-2-methylpropane-2-sulfinamide
CID 139041849
2-methyl-N-[(3R)-3-[(2R)-3-methyl-5-oxo-2H-furan-2-yl]-2-oxo-1-tritylindol-3-yl]propane-2-sulfinamide
CID 102223607
3-methylspiro[2,3-dihydrochromene-4,2'-3H-pyran]-4'-one
CID 104524767
1,5-diphenyl-3-tritylimidazolidine-2,4-dione
CID 44614596
(2'Z)-2'-benzylidene-1-methylspiro[indole-3,5'-oxolane]-2,3'-dione
CID 66573824

Frequently Asked Questions

What is the IUPAC name of 1'-tritylspiro[3H-pyran-2,3'-indole]-2',4-dione?
The IUPAC name of 1'-tritylspiro[3H-pyran-2,3'-indole]-2',4-dione (CID 56963952) is 1'-tritylspiro[3H-pyran-2,3'-indole]-2',4-dione.
What is the SMILES notation for 1'-tritylspiro[3H-pyran-2,3'-indole]-2',4-dione?
The canonical SMILES for 1'-tritylspiro[3H-pyran-2,3'-indole]-2',4-dione is O=C1C=COC2(C1)C(=O)N(C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc12.
What is the InChIKey of 1'-tritylspiro[3H-pyran-2,3'-indole]-2',4-dione?
The InChIKey is FDSBJAOZLYQFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23NO3/c33-26-20-21-35-30(22-26)27-18-10-11-19-28(27)32(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/h1-21H,22H2.
What are the key properties of 1'-tritylspiro[3H-pyran-2,3'-indole]-2',4-dione?
1'-tritylspiro[3H-pyran-2,3'-indole]-2',4-dione has a molecular weight of 457.53 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-tritylspiro[3H-pyran-2,3'-indole]-2',4-dione is sourced from PubChem (CID 56963952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).