5-methyl-1-tritylindole-2,3-dione

C28H21NO2 — CID 102051240

IUPAC5-methyl-1-tritylindole-2,3-dione
SMILESCc1ccc2c(c1)C(=O)C(=O)N2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H21NO2/c1-20-17-18-25-24(19-20)26(30)27(31)29(25)28(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-19H,1H3
InChIKeyGCISJBICFDORRW-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.52
Rot. Bonds4

About 5-methyl-1-tritylindole-2,3-dione

5-methyl-1-tritylindole-2,3-dione (PubChem CID 102051240) has the molecular formula C28H21NO2 and a molecular weight of 403.48 g/mol. Its IUPAC name is 5-methyl-1-tritylindole-2,3-dione.

Molecular Properties

Compound Name5-methyl-1-tritylindole-2,3-dione
PubChem CID102051240
Molecular FormulaC28H21NO2
Molecular Weight403.48 g/mol
Exact Mass403.16
IUPAC Name5-methyl-1-tritylindole-2,3-dione
SMILESCc1ccc2c(c1)C(=O)C(=O)N2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H21NO2/c1-20-17-18-25-24(19-20)26(30)27(31)29(25)28(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-19H,1H3
InChIKeyGCISJBICFDORRW-UHFFFAOYSA-N
XLogP5.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methyl-1-tritylindole-2,3-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

1,5-ditert-butylindole-2,3-dione
CID 20577153
5-methyl-2-[4-(1-trityltetrazol-5-yl)phenyl]isoindole-1,3-dione
CID 139624287
4-methyl-2-(5-methyl-2,3-dioxoindol-1-yl)pentanoic acid
CID 67775873
6-methylpyrrolo[1,2-a]indol-4-one
CID 19956225
1-[(2-methoxyphenyl)methyl]-5-methylindole-2,3-dione
CID 4730255
1-[2-(tert-butylamino)ethyl]-5-methylindole-2,3-dione
CID 61387641
2-(2-fluoro-4-methylphenyl)isoquinoline-1,3,4-trione
CID 101438443
1-(3-aminopropyl)-5-methylindole-2,3-dione
CID 84622797
5-(5-methyl-2-phenylphenyl)-2-trityltetrazole
CID 67300435
5-methyl-2-trityl-1,2-benzoxazol-3-one
CID 67151446
1-[(2-chloro-4-methylphenyl)methyl]-5-methylindole-2,3-dione
CID 106864247
5-methyl-1-[(3-methylimidazol-4-yl)methyl]indole-2,3-dione
CID 66140718

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-tritylindole-2,3-dione?
The IUPAC name of 5-methyl-1-tritylindole-2,3-dione (CID 102051240) is 5-methyl-1-tritylindole-2,3-dione.
What is the SMILES notation for 5-methyl-1-tritylindole-2,3-dione?
The canonical SMILES for 5-methyl-1-tritylindole-2,3-dione is Cc1ccc2c(c1)C(=O)C(=O)N2C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-methyl-1-tritylindole-2,3-dione?
The InChIKey is GCISJBICFDORRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21NO2/c1-20-17-18-25-24(19-20)26(30)27(31)29(25)28(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-19H,1H3.
What are the key properties of 5-methyl-1-tritylindole-2,3-dione?
5-methyl-1-tritylindole-2,3-dione has a molecular weight of 403.48 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-tritylindole-2,3-dione is sourced from PubChem (CID 102051240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).