10-benzhydrylidene-4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C29H23NO2 — CID 2871449

IUPAC10-benzhydrylidene-4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESO=C1C2C3C=CC(C3=C(c3ccccc3)c3ccccc3)C2C(=O)N1Cc1ccccc1
InChIInChI=1S/C29H23NO2/c31-28-26-22-16-17-23(27(26)29(32)30(28)18-19-10-4-1-5-11-19)25(22)24(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-17,22-23,26-27H,18H2
InChIKeyOQVMVLUBYGJINS-UHFFFAOYSA-N
MW417.51 g/mol
LogP5.11
Rot. Bonds4

About 10-benzhydrylidene-4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

10-benzhydrylidene-4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 2871449) has the molecular formula C29H23NO2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 10-benzhydrylidene-4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name10-benzhydrylidene-4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID2871449
Molecular FormulaC29H23NO2
Molecular Weight417.51 g/mol
Exact Mass417.17
IUPAC Name10-benzhydrylidene-4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESO=C1C2C3C=CC(C3=C(c3ccccc3)c3ccccc3)C2C(=O)N1Cc1ccccc1
InChIInChI=1S/C29H23NO2/c31-28-26-22-16-17-23(27(26)29(32)30(28)18-19-10-4-1-5-11-19)25(22)24(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-17,22-23,26-27H,18H2
InChIKeyOQVMVLUBYGJINS-UHFFFAOYSA-N
XLogP5.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-benzhydrylidene-4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of 10-benzhydrylidene-4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 2871449) is 10-benzhydrylidene-4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
What is the SMILES notation for 10-benzhydrylidene-4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for 10-benzhydrylidene-4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is O=C1C2C3C=CC(C3=C(c3ccccc3)c3ccccc3)C2C(=O)N1Cc1ccccc1.
What is the InChIKey of 10-benzhydrylidene-4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is OQVMVLUBYGJINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO2/c31-28-26-22-16-17-23(27(26)29(32)30(28)18-19-10-4-1-5-11-19)25(22)24(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-17,22-23,26-27H,18H2.
What are the key properties of 10-benzhydrylidene-4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
10-benzhydrylidene-4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 417.51 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzhydrylidene-4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 2871449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).