2-methyl-7-phenyl-[1]benzotellurolo[6,5-f][1]benzoselenole

C21H14SeTe — CID 166512597

IUPAC2-methyl-7-phenyl-[1]benzotellurolo[6,5-f][1]benzoselenole
SMILESCc1cc2cc3cc4[te]c(-c5ccccc5)cc4cc3cc2[se]1
InChIInChI=1S/C21H14SeTe/c1-13-7-17-8-16-11-21-18(9-15(16)10-19(17)22-13)12-20(23-21)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyQYNWGFLWWVQHMG-UHFFFAOYSA-N
MW472.90 g/mol
LogP5.24
Rot. Bonds1

About 2-methyl-7-phenyl-[1]benzotellurolo[6,5-f][1]benzoselenole

2-methyl-7-phenyl-[1]benzotellurolo[6,5-f][1]benzoselenole (PubChem CID 166512597) has the molecular formula C21H14SeTe and a molecular weight of 472.90 g/mol. Its IUPAC name is 2-methyl-7-phenyl-[1]benzotellurolo[6,5-f][1]benzoselenole.

Molecular Properties

Compound Name2-methyl-7-phenyl-[1]benzotellurolo[6,5-f][1]benzoselenole
PubChem CID166512597
Molecular FormulaC21H14SeTe
Molecular Weight472.90 g/mol
Exact Mass475.93
IUPAC Name2-methyl-7-phenyl-[1]benzotellurolo[6,5-f][1]benzoselenole
SMILESCc1cc2cc3cc4[te]c(-c5ccccc5)cc4cc3cc2[se]1
InChIInChI=1S/C21H14SeTe/c1-13-7-17-8-16-11-21-18(9-15(16)10-19(17)22-13)12-20(23-21)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyQYNWGFLWWVQHMG-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.90
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-cyclopenta-1,3-dien-1-yl-2-methyl-[1]benzotellurolo[5,6-f][1]benzoselenole
CID 166512608
7-methyl-17-phenyl-6-thia-16-tellurapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene
CID 166512585
2-phenyl-1-benzotellurophene
CID 10566538
2,6-diphenylselenopheno[3,2-f][1]benzoselenole
CID 86054141
2-methylselenopheno[3,2-f][2]benzofuran-5,7-dione
CID 140822028
2,6-diphenyltelluropyran-4-one
CID 12929787
6,16-dimethyl-11-oxa-7,15-diselenapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene
CID 147622675
1,4,8,11-tetraphenylpentacene
CID 102295223
7-cyclopenta-1,3-dien-1-yl-17-methyl-6-thia-16-selenapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3,5(9),7,10,12,14,17,19-nonaene
CID 166512601
pentacene;toluene
CID 160618494
2-(4-methylphenyl)-7-phenylnaphthalene
CID 155763940
2,7-diphenylanthracene
CID 154020316

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-phenyl-[1]benzotellurolo[6,5-f][1]benzoselenole?
The IUPAC name of 2-methyl-7-phenyl-[1]benzotellurolo[6,5-f][1]benzoselenole (CID 166512597) is 2-methyl-7-phenyl-[1]benzotellurolo[6,5-f][1]benzoselenole.
What is the SMILES notation for 2-methyl-7-phenyl-[1]benzotellurolo[6,5-f][1]benzoselenole?
The canonical SMILES for 2-methyl-7-phenyl-[1]benzotellurolo[6,5-f][1]benzoselenole is Cc1cc2cc3cc4[te]c(-c5ccccc5)cc4cc3cc2[se]1.
What is the InChIKey of 2-methyl-7-phenyl-[1]benzotellurolo[6,5-f][1]benzoselenole?
The InChIKey is QYNWGFLWWVQHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14SeTe/c1-13-7-17-8-16-11-21-18(9-15(16)10-19(17)22-13)12-20(23-21)14-5-3-2-4-6-14/h2-12H,1H3.
What are the key properties of 2-methyl-7-phenyl-[1]benzotellurolo[6,5-f][1]benzoselenole?
2-methyl-7-phenyl-[1]benzotellurolo[6,5-f][1]benzoselenole has a molecular weight of 472.90 g/mol, XLogP of 5.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-phenyl-[1]benzotellurolo[6,5-f][1]benzoselenole is sourced from PubChem (CID 166512597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).