bis(5-[(5-phenoselenazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione);bis(5-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione);5-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione

C120H65N5O11S7Se2Te5 — CID 162113615

IUPACbis(5-[(5-phenoselenazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione);bis(5-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione);5-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione
SMILESO=C1C(=Cc2ccc(N3c4ccccc4Oc4ccccc43)[te]2)C(=O)c2cscc21.O=C1C(=Cc2ccc(N3c4ccccc4Sc4ccccc43)[te]2)C(=O)c2cscc21.O=C1C(=Cc2ccc(N3c4ccccc4Sc4ccccc43)[te]2)C(=O)c2cscc21.O=C1C(=Cc2ccc(N3c4ccccc4[Se]c4ccccc43)[te]2)C(=O)c2cscc21.O=C1C(=Cc2ccc(N3c4ccccc4[Se]c4ccccc43)[te]2)C(=O)c2cscc21
InChIInChI=1S/C24H13NO3STe.2C24H13NO2S2Te.2C24H13NO2SSeTe/c26-23-15(24(27)17-13-29-12-16(17)23)11-14-9-10-22(30-14)25-18-5-1-3-7-20(18)28-21-8-4-2-6-19(21)25;4*26-23-15(24(27)17-13-28-12-16(17)23)11-14-9-10-22(30-14)25-18-5-1-3-7-20(18)29-21-8-4-2-6-19(21)25/h5*1-13H
InChIKeyZGLZXCOVYLQVDK-UHFFFAOYSA-N
MW2773.25 g/mol
LogP25.66
Rot. Bonds10

About bis(5-[(5-phenoselenazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione);bis(5-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione);5-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione

bis(5-[(5-phenoselenazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione);bis(5-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione);5-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione (PubChem CID 162113615) has the molecular formula C120H65N5O11S7Se2Te5 and a molecular weight of 2773.25 g/mol. Its IUPAC name is bis(5-[(5-phenoselenazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione);bis(5-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione);5-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione.

Molecular Properties

Compound Namebis(5-[(5-phenoselenazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione);bis(5-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione);5-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione
PubChem CID162113615
Molecular FormulaC120H65N5O11S7Se2Te5
Molecular Weight2773.25 g/mol
Exact Mass2784.64
IUPAC Namebis(5-[(5-phenoselenazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione);bis(5-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione);5-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione
SMILESO=C1C(=Cc2ccc(N3c4ccccc4Oc4ccccc43)[te]2)C(=O)c2cscc21.O=C1C(=Cc2ccc(N3c4ccccc4Sc4ccccc43)[te]2)C(=O)c2cscc21.O=C1C(=Cc2ccc(N3c4ccccc4Sc4ccccc43)[te]2)C(=O)c2cscc21.O=C1C(=Cc2ccc(N3c4ccccc4[Se]c4ccccc43)[te]2)C(=O)c2cscc21.O=C1C(=Cc2ccc(N3c4ccccc4[Se]c4ccccc43)[te]2)C(=O)c2cscc21
InChIInChI=1S/C24H13NO3STe.2C24H13NO2S2Te.2C24H13NO2SSeTe/c26-23-15(24(27)17-13-29-12-16(17)23)11-14-9-10-22(30-14)25-18-5-1-3-7-20(18)28-21-8-4-2-6-19(21)25;4*26-23-15(24(27)17-13-28-12-16(17)23)11-14-9-10-22(30-14)25-18-5-1-3-7-20(18)29-21-8-4-2-6-19(21)25/h5*1-13H
InChIKeyZGLZXCOVYLQVDK-UHFFFAOYSA-N
XLogP25.66
TPSA196.13 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds10
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002773.25
LogP ≤ 525.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze bis(5-[(5-phenoselenazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione);bis(5-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione);5-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(5-[(5-phenoselenazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione);bis(5-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione);5-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione?
The IUPAC name of bis(5-[(5-phenoselenazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione);bis(5-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione);5-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione (CID 162113615) is bis(5-[(5-phenoselenazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione);bis(5-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione);5-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione.
What is the SMILES notation for bis(5-[(5-phenoselenazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione);bis(5-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione);5-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione?
The canonical SMILES for bis(5-[(5-phenoselenazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione);bis(5-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione);5-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione is O=C1C(=Cc2ccc(N3c4ccccc4Oc4ccccc43)[te]2)C(=O)c2cscc21.O=C1C(=Cc2ccc(N3c4ccccc4Sc4ccccc43)[te]2)C(=O)c2cscc21.O=C1C(=Cc2ccc(N3c4ccccc4Sc4ccccc43)[te]2)C(=O)c2cscc21.O=C1C(=Cc2ccc(N3c4ccccc4[Se]c4ccccc43)[te]2)C(=O)c2cscc21.O=C1C(=Cc2ccc(N3c4ccccc4[Se]c4ccccc43)[te]2)C(=O)c2cscc21.
What is the InChIKey of bis(5-[(5-phenoselenazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione);bis(5-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione);5-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione?
The InChIKey is ZGLZXCOVYLQVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13NO3STe.2C24H13NO2S2Te.2C24H13NO2SSeTe/c26-23-15(24(27)17-13-29-12-16(17)23)11-14-9-10-22(30-14)25-18-5-1-3-7-20(18)28-21-8-4-2-6-19(21)25;4*26-23-15(24(27)17-13-28-12-16(17)23)11-14-9-10-22(30-14)25-18-5-1-3-7-20(18)29-21-8-4-2-6-19(21)25/h5*1-13H.
What are the key properties of bis(5-[(5-phenoselenazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione);bis(5-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione);5-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione?
bis(5-[(5-phenoselenazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione);bis(5-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione);5-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione has a molecular weight of 2773.25 g/mol, XLogP of 25.66, 10 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-[(5-phenoselenazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione);bis(5-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione);5-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]cyclopenta[c]thiophene-4,6-dione is sourced from PubChem (CID 162113615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).