2-phenyl-3a,4,11,11a-tetrahydronaphtho[2,3-f]isoindole-1,3-dione

C22H17NO2 — CID 10980346

IUPAC2-phenyl-3a,4,11,11a-tetrahydronaphtho[2,3-f]isoindole-1,3-dione
SMILESO=C1C2Cc3cc4ccccc4cc3CC2C(=O)N1c1ccccc1
InChIInChI=1S/C22H17NO2/c24-21-19-12-16-10-14-6-4-5-7-15(14)11-17(16)13-20(19)22(25)23(21)18-8-2-1-3-9-18/h1-11,19-20H,12-13H2
InChIKeyRYLINFHWBBOVLF-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.74
Rot. Bonds1

About 2-phenyl-3a,4,11,11a-tetrahydronaphtho[2,3-f]isoindole-1,3-dione

2-phenyl-3a,4,11,11a-tetrahydronaphtho[2,3-f]isoindole-1,3-dione (PubChem CID 10980346) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-phenyl-3a,4,11,11a-tetrahydronaphtho[2,3-f]isoindole-1,3-dione.

Molecular Properties

Compound Name2-phenyl-3a,4,11,11a-tetrahydronaphtho[2,3-f]isoindole-1,3-dione
PubChem CID10980346
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name2-phenyl-3a,4,11,11a-tetrahydronaphtho[2,3-f]isoindole-1,3-dione
SMILESO=C1C2Cc3cc4ccccc4cc3CC2C(=O)N1c1ccccc1
InChIInChI=1S/C22H17NO2/c24-21-19-12-16-10-14-6-4-5-7-15(14)11-17(16)13-20(19)22(25)23(21)18-8-2-1-3-9-18/h1-11,19-20H,12-13H2
InChIKeyRYLINFHWBBOVLF-UHFFFAOYSA-N
XLogP3.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.74
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-phenyl-3a,4,11,11a-tetrahydronaphtho[2,3-f]isoindole-1,3-dione?
The IUPAC name of 2-phenyl-3a,4,11,11a-tetrahydronaphtho[2,3-f]isoindole-1,3-dione (CID 10980346) is 2-phenyl-3a,4,11,11a-tetrahydronaphtho[2,3-f]isoindole-1,3-dione.
What is the SMILES notation for 2-phenyl-3a,4,11,11a-tetrahydronaphtho[2,3-f]isoindole-1,3-dione?
The canonical SMILES for 2-phenyl-3a,4,11,11a-tetrahydronaphtho[2,3-f]isoindole-1,3-dione is O=C1C2Cc3cc4ccccc4cc3CC2C(=O)N1c1ccccc1.
What is the InChIKey of 2-phenyl-3a,4,11,11a-tetrahydronaphtho[2,3-f]isoindole-1,3-dione?
The InChIKey is RYLINFHWBBOVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c24-21-19-12-16-10-14-6-4-5-7-15(14)11-17(16)13-20(19)22(25)23(21)18-8-2-1-3-9-18/h1-11,19-20H,12-13H2.
What are the key properties of 2-phenyl-3a,4,11,11a-tetrahydronaphtho[2,3-f]isoindole-1,3-dione?
2-phenyl-3a,4,11,11a-tetrahydronaphtho[2,3-f]isoindole-1,3-dione has a molecular weight of 327.38 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3a,4,11,11a-tetrahydronaphtho[2,3-f]isoindole-1,3-dione is sourced from PubChem (CID 10980346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).