16-phenyl-16-azatetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene-15,17-dione

C22H15NO2 — CID 102335192

IUPAC16-phenyl-16-azatetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene-15,17-dione
SMILESO=C1C2c3ccccc3C(C(=O)N1c1ccccc1)c1ccccc12
InChIInChI=1S/C22H15NO2/c24-21-19-15-10-4-5-11-16(15)20(18-13-7-6-12-17(18)19)22(25)23(21)14-8-2-1-3-9-14/h1-13,19-20H
InChIKeyZCZVHODZKAFNTE-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.84
Rot. Bonds1

About 16-phenyl-16-azatetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene-15,17-dione

16-phenyl-16-azatetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene-15,17-dione (PubChem CID 102335192) has the molecular formula C22H15NO2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 16-phenyl-16-azatetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene-15,17-dione.

Molecular Properties

Compound Name16-phenyl-16-azatetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene-15,17-dione
PubChem CID102335192
Molecular FormulaC22H15NO2
Molecular Weight325.37 g/mol
Exact Mass325.11
IUPAC Name16-phenyl-16-azatetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene-15,17-dione
SMILESO=C1C2c3ccccc3C(C(=O)N1c1ccccc1)c1ccccc12
InChIInChI=1S/C22H15NO2/c24-21-19-15-10-4-5-11-16(15)20(18-13-7-6-12-17(18)19)22(25)23(21)14-8-2-1-3-9-14/h1-13,19-20H
InChIKeyZCZVHODZKAFNTE-UHFFFAOYSA-N
XLogP3.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.84
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 16-phenyl-16-azatetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene-15,17-dione?
The IUPAC name of 16-phenyl-16-azatetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene-15,17-dione (CID 102335192) is 16-phenyl-16-azatetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene-15,17-dione.
What is the SMILES notation for 16-phenyl-16-azatetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene-15,17-dione?
The canonical SMILES for 16-phenyl-16-azatetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene-15,17-dione is O=C1C2c3ccccc3C(C(=O)N1c1ccccc1)c1ccccc12.
What is the InChIKey of 16-phenyl-16-azatetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene-15,17-dione?
The InChIKey is ZCZVHODZKAFNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO2/c24-21-19-15-10-4-5-11-16(15)20(18-13-7-6-12-17(18)19)22(25)23(21)14-8-2-1-3-9-14/h1-13,19-20H.
What are the key properties of 16-phenyl-16-azatetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene-15,17-dione?
16-phenyl-16-azatetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene-15,17-dione has a molecular weight of 325.37 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-phenyl-16-azatetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene-15,17-dione is sourced from PubChem (CID 102335192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).