2-[2,6-di(propan-2-yl)phenyl]benzo[f]isoindole-1,3-dione

C24H23NO2 — CID 10784566

IUPAC2-[2,6-di(propan-2-yl)phenyl]benzo[f]isoindole-1,3-dione
SMILESCC(C)c1cccc(C(C)C)c1N1C(=O)c2cc3ccccc3cc2C1=O
InChIInChI=1S/C24H23NO2/c1-14(2)18-10-7-11-19(15(3)4)22(18)25-23(26)20-12-16-8-5-6-9-17(16)13-21(20)24(25)27/h5-15H,1-4H3
InChIKeyVECYZZLOYIXKAU-UHFFFAOYSA-N
MW357.45 g/mol
LogP5.89
Rot. Bonds3

About 2-[2,6-di(propan-2-yl)phenyl]benzo[f]isoindole-1,3-dione

2-[2,6-di(propan-2-yl)phenyl]benzo[f]isoindole-1,3-dione (PubChem CID 10784566) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-[2,6-di(propan-2-yl)phenyl]benzo[f]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2,6-di(propan-2-yl)phenyl]benzo[f]isoindole-1,3-dione
PubChem CID10784566
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name2-[2,6-di(propan-2-yl)phenyl]benzo[f]isoindole-1,3-dione
SMILESCC(C)c1cccc(C(C)C)c1N1C(=O)c2cc3ccccc3cc2C1=O
InChIInChI=1S/C24H23NO2/c1-14(2)18-10-7-11-19(15(3)4)22(18)25-23(26)20-12-16-8-5-6-9-17(16)13-21(20)24(25)27/h5-15H,1-4H3
InChIKeyVECYZZLOYIXKAU-UHFFFAOYSA-N
XLogP5.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-di(propan-2-yl)phenyl]benzo[f]isoindole-1,3-dione?
The IUPAC name of 2-[2,6-di(propan-2-yl)phenyl]benzo[f]isoindole-1,3-dione (CID 10784566) is 2-[2,6-di(propan-2-yl)phenyl]benzo[f]isoindole-1,3-dione.
What is the SMILES notation for 2-[2,6-di(propan-2-yl)phenyl]benzo[f]isoindole-1,3-dione?
The canonical SMILES for 2-[2,6-di(propan-2-yl)phenyl]benzo[f]isoindole-1,3-dione is CC(C)c1cccc(C(C)C)c1N1C(=O)c2cc3ccccc3cc2C1=O.
What is the InChIKey of 2-[2,6-di(propan-2-yl)phenyl]benzo[f]isoindole-1,3-dione?
The InChIKey is VECYZZLOYIXKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-14(2)18-10-7-11-19(15(3)4)22(18)25-23(26)20-12-16-8-5-6-9-17(16)13-21(20)24(25)27/h5-15H,1-4H3.
What are the key properties of 2-[2,6-di(propan-2-yl)phenyl]benzo[f]isoindole-1,3-dione?
2-[2,6-di(propan-2-yl)phenyl]benzo[f]isoindole-1,3-dione has a molecular weight of 357.45 g/mol, XLogP of 5.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-di(propan-2-yl)phenyl]benzo[f]isoindole-1,3-dione is sourced from PubChem (CID 10784566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).