2-[(5-pyrrolo[2,3-b]pyridin-1-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione

C25H14N2O2Te — CID 158298928

About 2-[(5-pyrrolo[2,3-b]pyridin-1-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione

2-[(5-pyrrolo[2,3-b]pyridin-1-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione (PubChem CID 158298928) has the molecular formula C25H14N2O2Te and a molecular weight of 502.00 g/mol. Its IUPAC name is 2-[(5-pyrrolo[2,3-b]pyridin-1-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione.

Molecular Properties

• Compound Name: 2-[(5-pyrrolo[2,3-b]pyridin-1-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
• PubChem CID: 158298928
• Molecular Formula: C25H14N2O2Te
• Molecular Weight: 502.00 g/mol
• Exact Mass: 504.01
• IUPAC Name: 2-[(5-pyrrolo[2,3-b]pyridin-1-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
• SMILES: O=C1C(=Cc2ccc(-n3ccc4cccnc43)[te]2)C(=O)c2cc3ccccc3cc21
• InChI: InChI=1S/C25H14N2O2Te/c28-23-19-12-16-4-1-2-5-17(16)13-20(19)24(29)21(23)14-18-7-8-22(30-18)27-11-9-15-6-3-10-26-25(15)27/h1-14H
• InChIKey: WFXUEIHXDOGRKP-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 51.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.00
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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'}

Frequently Asked Questions

What is the IUPAC name of 2-[(5-pyrrolo[2,3-b]pyridin-1-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?

The IUPAC name of 2-[(5-pyrrolo[2,3-b]pyridin-1-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione (CID 158298928) is 2-[(5-pyrrolo[2,3-b]pyridin-1-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione.

What is the SMILES notation for 2-[(5-pyrrolo[2,3-b]pyridin-1-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?

The canonical SMILES for 2-[(5-pyrrolo[2,3-b]pyridin-1-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione is O=C1C(=Cc2ccc(-n3ccc4cccnc43)[te]2)C(=O)c2cc3ccccc3cc21.

What is the InChIKey of 2-[(5-pyrrolo[2,3-b]pyridin-1-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?

The InChIKey is WFXUEIHXDOGRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14N2O2Te/c28-23-19-12-16-4-1-2-5-17(16)13-20(19)24(29)21(23)14-18-7-8-22(30-18)27-11-9-15-6-3-10-26-25(15)27/h1-14H.

What are the key properties of 2-[(5-pyrrolo[2,3-b]pyridin-1-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?

2-[(5-pyrrolo[2,3-b]pyridin-1-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione has a molecular weight of 502.00 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-pyrrolo[2,3-b]pyridin-1-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione is sourced from PubChem (CID 158298928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).