5-phenyl-1-(3-phenylpropyl)indole-2,3-dione

C23H19NO2 — CID 71721807

IUPAC5-phenyl-1-(3-phenylpropyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCCc2ccccc2)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C23H19NO2/c25-22-20-16-19(18-11-5-2-6-12-18)13-14-21(20)24(23(22)26)15-7-10-17-8-3-1-4-9-17/h1-6,8-9,11-14,16H,7,10,15H2
InChIKeyXENKASSRONLSHL-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.52
Rot. Bonds5

About 5-phenyl-1-(3-phenylpropyl)indole-2,3-dione

5-phenyl-1-(3-phenylpropyl)indole-2,3-dione (PubChem CID 71721807) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-phenyl-1-(3-phenylpropyl)indole-2,3-dione.

Molecular Properties

Compound Name5-phenyl-1-(3-phenylpropyl)indole-2,3-dione
PubChem CID71721807
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name5-phenyl-1-(3-phenylpropyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCCc2ccccc2)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C23H19NO2/c25-22-20-16-19(18-11-5-2-6-12-18)13-14-21(20)24(23(22)26)15-7-10-17-8-3-1-4-9-17/h1-6,8-9,11-14,16H,7,10,15H2
InChIKeyXENKASSRONLSHL-UHFFFAOYSA-N
XLogP4.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1-(3-phenylpropyl)indole-2,3-dione?
The IUPAC name of 5-phenyl-1-(3-phenylpropyl)indole-2,3-dione (CID 71721807) is 5-phenyl-1-(3-phenylpropyl)indole-2,3-dione.
What is the SMILES notation for 5-phenyl-1-(3-phenylpropyl)indole-2,3-dione?
The canonical SMILES for 5-phenyl-1-(3-phenylpropyl)indole-2,3-dione is O=C1C(=O)N(CCCc2ccccc2)c2ccc(-c3ccccc3)cc21.
What is the InChIKey of 5-phenyl-1-(3-phenylpropyl)indole-2,3-dione?
The InChIKey is XENKASSRONLSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c25-22-20-16-19(18-11-5-2-6-12-18)13-14-21(20)24(23(22)26)15-7-10-17-8-3-1-4-9-17/h1-6,8-9,11-14,16H,7,10,15H2.
What are the key properties of 5-phenyl-1-(3-phenylpropyl)indole-2,3-dione?
5-phenyl-1-(3-phenylpropyl)indole-2,3-dione has a molecular weight of 341.41 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1-(3-phenylpropyl)indole-2,3-dione is sourced from PubChem (CID 71721807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).