7-cyclopenta-1,3-dien-1-yl-2-methyl-[1]benzotellurolo[5,6-f][1]benzoselenole

C20H14SeTe — CID 166512608

IUPAC7-cyclopenta-1,3-dien-1-yl-2-methyl-[1]benzotellurolo[5,6-f][1]benzoselenole
SMILESCc1cc2cc3cc4cc(C5=CC=CC5)[te]c4cc3cc2[se]1
InChIInChI=1S/C20H14SeTe/c1-12-6-16-7-14-8-17-11-19(13-4-2-3-5-13)22-20(17)10-15(14)9-18(16)21-12/h2-4,6-11H,5H2,1H3
InChIKeyFONHUVARZYNIAZ-UHFFFAOYSA-N
MW460.89 g/mol
LogP4.91
Rot. Bonds1

About 7-cyclopenta-1,3-dien-1-yl-2-methyl-[1]benzotellurolo[5,6-f][1]benzoselenole

7-cyclopenta-1,3-dien-1-yl-2-methyl-[1]benzotellurolo[5,6-f][1]benzoselenole (PubChem CID 166512608) has the molecular formula C20H14SeTe and a molecular weight of 460.89 g/mol. Its IUPAC name is 7-cyclopenta-1,3-dien-1-yl-2-methyl-[1]benzotellurolo[5,6-f][1]benzoselenole.

Molecular Properties

Compound Name7-cyclopenta-1,3-dien-1-yl-2-methyl-[1]benzotellurolo[5,6-f][1]benzoselenole
PubChem CID166512608
Molecular FormulaC20H14SeTe
Molecular Weight460.89 g/mol
Exact Mass463.93
IUPAC Name7-cyclopenta-1,3-dien-1-yl-2-methyl-[1]benzotellurolo[5,6-f][1]benzoselenole
SMILESCc1cc2cc3cc4cc(C5=CC=CC5)[te]c4cc3cc2[se]1
InChIInChI=1S/C20H14SeTe/c1-12-6-16-7-14-8-17-11-19(13-4-2-3-5-13)22-20(17)10-15(14)9-18(16)21-12/h2-4,6-11H,5H2,1H3
InChIKeyFONHUVARZYNIAZ-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.89
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopenta-1,3-dien-1-yl-2-methyl-[1]benzotellurolo[5,6-f][1]benzoselenole?
The IUPAC name of 7-cyclopenta-1,3-dien-1-yl-2-methyl-[1]benzotellurolo[5,6-f][1]benzoselenole (CID 166512608) is 7-cyclopenta-1,3-dien-1-yl-2-methyl-[1]benzotellurolo[5,6-f][1]benzoselenole.
What is the SMILES notation for 7-cyclopenta-1,3-dien-1-yl-2-methyl-[1]benzotellurolo[5,6-f][1]benzoselenole?
The canonical SMILES for 7-cyclopenta-1,3-dien-1-yl-2-methyl-[1]benzotellurolo[5,6-f][1]benzoselenole is Cc1cc2cc3cc4cc(C5=CC=CC5)[te]c4cc3cc2[se]1.
What is the InChIKey of 7-cyclopenta-1,3-dien-1-yl-2-methyl-[1]benzotellurolo[5,6-f][1]benzoselenole?
The InChIKey is FONHUVARZYNIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14SeTe/c1-12-6-16-7-14-8-17-11-19(13-4-2-3-5-13)22-20(17)10-15(14)9-18(16)21-12/h2-4,6-11H,5H2,1H3.
What are the key properties of 7-cyclopenta-1,3-dien-1-yl-2-methyl-[1]benzotellurolo[5,6-f][1]benzoselenole?
7-cyclopenta-1,3-dien-1-yl-2-methyl-[1]benzotellurolo[5,6-f][1]benzoselenole has a molecular weight of 460.89 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopenta-1,3-dien-1-yl-2-methyl-[1]benzotellurolo[5,6-f][1]benzoselenole is sourced from PubChem (CID 166512608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).