2-(3,11-diselena-7-telluratricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-ylmethylidene)cyclopenta[b]naphthalene-1,3-dione

C22H10O2Se2Te — CID 155656263

IUPAC2-(3,11-diselena-7-telluratricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-ylmethylidene)cyclopenta[b]naphthalene-1,3-dione
SMILESO=C1C(=Cc2cc3[te]c4cc[se]c4c3[se]2)C(=O)c2cc3ccccc3cc21
InChIInChI=1S/C22H10O2Se2Te/c23-19-14-7-11-3-1-2-4-12(11)8-15(14)20(24)16(19)9-13-10-18-22(26-13)21-17(27-18)5-6-25-21/h1-10H
InChIKeyWIQXRNHNYPAQDN-UHFFFAOYSA-N
MW591.84 g/mol
LogP3.78
Rot. Bonds1

About 2-(3,11-diselena-7-telluratricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-ylmethylidene)cyclopenta[b]naphthalene-1,3-dione

2-(3,11-diselena-7-telluratricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-ylmethylidene)cyclopenta[b]naphthalene-1,3-dione (PubChem CID 155656263) has the molecular formula C22H10O2Se2Te and a molecular weight of 591.84 g/mol. Its IUPAC name is 2-(3,11-diselena-7-telluratricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-ylmethylidene)cyclopenta[b]naphthalene-1,3-dione.

Molecular Properties

Compound Name2-(3,11-diselena-7-telluratricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-ylmethylidene)cyclopenta[b]naphthalene-1,3-dione
PubChem CID155656263
Molecular FormulaC22H10O2Se2Te
Molecular Weight591.84 g/mol
Exact Mass595.81
IUPAC Name2-(3,11-diselena-7-telluratricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-ylmethylidene)cyclopenta[b]naphthalene-1,3-dione
SMILESO=C1C(=Cc2cc3[te]c4cc[se]c4c3[se]2)C(=O)c2cc3ccccc3cc21
InChIInChI=1S/C22H10O2Se2Te/c23-19-14-7-11-3-1-2-4-12(11)8-15(14)20(24)16(19)9-13-10-18-22(26-13)21-17(27-18)5-6-25-21/h1-10H
InChIKeyWIQXRNHNYPAQDN-UHFFFAOYSA-N
XLogP3.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.84
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,11-diselena-7-telluratricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-ylmethylidene)cyclopenta[b]naphthalene-1,3-dione?
The IUPAC name of 2-(3,11-diselena-7-telluratricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-ylmethylidene)cyclopenta[b]naphthalene-1,3-dione (CID 155656263) is 2-(3,11-diselena-7-telluratricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-ylmethylidene)cyclopenta[b]naphthalene-1,3-dione.
What is the SMILES notation for 2-(3,11-diselena-7-telluratricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-ylmethylidene)cyclopenta[b]naphthalene-1,3-dione?
The canonical SMILES for 2-(3,11-diselena-7-telluratricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-ylmethylidene)cyclopenta[b]naphthalene-1,3-dione is O=C1C(=Cc2cc3[te]c4cc[se]c4c3[se]2)C(=O)c2cc3ccccc3cc21.
What is the InChIKey of 2-(3,11-diselena-7-telluratricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-ylmethylidene)cyclopenta[b]naphthalene-1,3-dione?
The InChIKey is WIQXRNHNYPAQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H10O2Se2Te/c23-19-14-7-11-3-1-2-4-12(11)8-15(14)20(24)16(19)9-13-10-18-22(26-13)21-17(27-18)5-6-25-21/h1-10H.
What are the key properties of 2-(3,11-diselena-7-telluratricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-ylmethylidene)cyclopenta[b]naphthalene-1,3-dione?
2-(3,11-diselena-7-telluratricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-ylmethylidene)cyclopenta[b]naphthalene-1,3-dione has a molecular weight of 591.84 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,11-diselena-7-telluratricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-ylmethylidene)cyclopenta[b]naphthalene-1,3-dione is sourced from PubChem (CID 155656263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).