2-[[5-(1,3-dihydroisoindol-2-yl)tellurophen-2-yl]methylidene]indene-1,3-dione

C22H15NO2Te — CID 156674602

IUPAC2-[[5-(1,3-dihydroisoindol-2-yl)tellurophen-2-yl]methylidene]indene-1,3-dione
SMILESO=C1C(=Cc2ccc(N3Cc4ccccc4C3)[te]2)C(=O)c2ccccc21
InChIInChI=1S/C22H15NO2Te/c24-21-17-7-3-4-8-18(17)22(25)19(21)11-16-9-10-20(26-16)23-12-14-5-1-2-6-15(14)13-23/h1-11H,12-13H2
InChIKeyHDRMTTDDQFWFHC-UHFFFAOYSA-N
MW452.97 g/mol
LogP3.73
Rot. Bonds2

About 2-[[5-(1,3-dihydroisoindol-2-yl)tellurophen-2-yl]methylidene]indene-1,3-dione

2-[[5-(1,3-dihydroisoindol-2-yl)tellurophen-2-yl]methylidene]indene-1,3-dione (PubChem CID 156674602) has the molecular formula C22H15NO2Te and a molecular weight of 452.97 g/mol. Its IUPAC name is 2-[[5-(1,3-dihydroisoindol-2-yl)tellurophen-2-yl]methylidene]indene-1,3-dione.

Molecular Properties

Compound Name2-[[5-(1,3-dihydroisoindol-2-yl)tellurophen-2-yl]methylidene]indene-1,3-dione
PubChem CID156674602
Molecular FormulaC22H15NO2Te
Molecular Weight452.97 g/mol
Exact Mass455.02
IUPAC Name2-[[5-(1,3-dihydroisoindol-2-yl)tellurophen-2-yl]methylidene]indene-1,3-dione
SMILESO=C1C(=Cc2ccc(N3Cc4ccccc4C3)[te]2)C(=O)c2ccccc21
InChIInChI=1S/C22H15NO2Te/c24-21-17-7-3-4-8-18(17)22(25)19(21)11-16-9-10-20(26-16)23-12-14-5-1-2-6-15(14)13-23/h1-11H,12-13H2
InChIKeyHDRMTTDDQFWFHC-UHFFFAOYSA-N
XLogP3.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.97
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

Analyze 2-[[5-(1,3-dihydroisoindol-2-yl)tellurophen-2-yl]methylidene]indene-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1,3-dihydroisoindol-2-yl)tellurophen-2-yl]methylidene]indene-1,3-dione?
The IUPAC name of 2-[[5-(1,3-dihydroisoindol-2-yl)tellurophen-2-yl]methylidene]indene-1,3-dione (CID 156674602) is 2-[[5-(1,3-dihydroisoindol-2-yl)tellurophen-2-yl]methylidene]indene-1,3-dione.
What is the SMILES notation for 2-[[5-(1,3-dihydroisoindol-2-yl)tellurophen-2-yl]methylidene]indene-1,3-dione?
The canonical SMILES for 2-[[5-(1,3-dihydroisoindol-2-yl)tellurophen-2-yl]methylidene]indene-1,3-dione is O=C1C(=Cc2ccc(N3Cc4ccccc4C3)[te]2)C(=O)c2ccccc21.
What is the InChIKey of 2-[[5-(1,3-dihydroisoindol-2-yl)tellurophen-2-yl]methylidene]indene-1,3-dione?
The InChIKey is HDRMTTDDQFWFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO2Te/c24-21-17-7-3-4-8-18(17)22(25)19(21)11-16-9-10-20(26-16)23-12-14-5-1-2-6-15(14)13-23/h1-11H,12-13H2.
What are the key properties of 2-[[5-(1,3-dihydroisoindol-2-yl)tellurophen-2-yl]methylidene]indene-1,3-dione?
2-[[5-(1,3-dihydroisoindol-2-yl)tellurophen-2-yl]methylidene]indene-1,3-dione has a molecular weight of 452.97 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1,3-dihydroisoindol-2-yl)tellurophen-2-yl]methylidene]indene-1,3-dione is sourced from PubChem (CID 156674602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).