2-(2-anthracen-2-ylethyl)isoindole-1,3-dione

C24H17NO2 — CID 102026438

IUPAC2-(2-anthracen-2-ylethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C24H17NO2/c26-23-21-7-3-4-8-22(21)24(27)25(23)12-11-16-9-10-19-14-17-5-1-2-6-18(17)15-20(19)13-16/h1-10,13-15H,11-12H2
InChIKeyRJYZGRSKFIUKKW-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.83
Rot. Bonds3

About 2-(2-anthracen-2-ylethyl)isoindole-1,3-dione

2-(2-anthracen-2-ylethyl)isoindole-1,3-dione (PubChem CID 102026438) has the molecular formula C24H17NO2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(2-anthracen-2-ylethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-anthracen-2-ylethyl)isoindole-1,3-dione
PubChem CID102026438
Molecular FormulaC24H17NO2
Molecular Weight351.41 g/mol
Exact Mass351.13
IUPAC Name2-(2-anthracen-2-ylethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C24H17NO2/c26-23-21-7-3-4-8-22(21)24(27)25(23)12-11-16-9-10-19-14-17-5-1-2-6-18(17)15-20(19)13-16/h1-10,13-15H,11-12H2
InChIKeyRJYZGRSKFIUKKW-UHFFFAOYSA-N
XLogP4.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-aminophenyl)ethyl]isoindole-1,3-dione
CID 10849371
2-[2-(4-sulfanylphenyl)ethyl]isoindole-1,3-dione
CID 53469378
2-[2-(4-phenoxyphenyl)ethyl]isoindole-1,3-dione
CID 57228400
2-[2-(3-aminophenyl)ethyl]isoindole-1,3-dione
CID 67219583
2-[2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]isoindole-1,3-dione
CID 15036635
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl] 4-methoxybenzoate
CID 7212632
2-[6-(4-bromophenyl)hexyl]isoindole-1,3-dione
CID 68789192
4-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenoxy]butanoic acid
CID 11725612
2-(4-phenylbutyl)isoindole-1,3-dione
CID 10468831
5-bromo-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione
CID 61017162
2-[3-(4-hydroxyphenyl)propyl]isoindole-1,3-dione
CID 58707349

Frequently Asked Questions

What is the IUPAC name of 2-(2-anthracen-2-ylethyl)isoindole-1,3-dione?
The IUPAC name of 2-(2-anthracen-2-ylethyl)isoindole-1,3-dione (CID 102026438) is 2-(2-anthracen-2-ylethyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-anthracen-2-ylethyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-anthracen-2-ylethyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCc1ccc2cc3ccccc3cc2c1.
What is the InChIKey of 2-(2-anthracen-2-ylethyl)isoindole-1,3-dione?
The InChIKey is RJYZGRSKFIUKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO2/c26-23-21-7-3-4-8-22(21)24(27)25(23)12-11-16-9-10-19-14-17-5-1-2-6-18(17)15-20(19)13-16/h1-10,13-15H,11-12H2.
What are the key properties of 2-(2-anthracen-2-ylethyl)isoindole-1,3-dione?
2-(2-anthracen-2-ylethyl)isoindole-1,3-dione has a molecular weight of 351.41 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anthracen-2-ylethyl)isoindole-1,3-dione is sourced from PubChem (CID 102026438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).