2-(4-decylphenyl)-[1]benzotellurolo[6,5-f][1]benzoselenole

C30H32SeTe — CID 153495190

IUPAC2-(4-decylphenyl)-[1]benzotellurolo[6,5-f][1]benzoselenole
SMILESCCCCCCCCCCc1ccc(-c2cc3cc4cc5[te]ccc5cc4cc3[se]2)cc1
InChIInChI=1S/C30H32SeTe/c1-2-3-4-5-6-7-8-9-10-22-11-13-23(14-12-22)28-20-27-18-26-21-30-24(15-16-32-30)17-25(26)19-29(27)31-28/h11-21H,2-10H2,1H3
InChIKeyHVTZXUQXLSETAF-UHFFFAOYSA-N
MW599.15 g/mol
LogP8.61
Rot. Bonds10

About 2-(4-decylphenyl)-[1]benzotellurolo[6,5-f][1]benzoselenole

2-(4-decylphenyl)-[1]benzotellurolo[6,5-f][1]benzoselenole (PubChem CID 153495190) has the molecular formula C30H32SeTe and a molecular weight of 599.15 g/mol. Its IUPAC name is 2-(4-decylphenyl)-[1]benzotellurolo[6,5-f][1]benzoselenole.

Molecular Properties

Compound Name2-(4-decylphenyl)-[1]benzotellurolo[6,5-f][1]benzoselenole
PubChem CID153495190
Molecular FormulaC30H32SeTe
Molecular Weight599.15 g/mol
Exact Mass602.07
IUPAC Name2-(4-decylphenyl)-[1]benzotellurolo[6,5-f][1]benzoselenole
SMILESCCCCCCCCCCc1ccc(-c2cc3cc4cc5[te]ccc5cc4cc3[se]2)cc1
InChIInChI=1S/C30H32SeTe/c1-2-3-4-5-6-7-8-9-10-22-11-13-23(14-12-22)28-20-27-18-26-21-30-24(15-16-32-30)17-25(26)19-29(27)31-28/h11-21H,2-10H2,1H3
InChIKeyHVTZXUQXLSETAF-UHFFFAOYSA-N
XLogP8.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.15
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 22766415
6-decyl-2-(6-decylazulen-2-yl)azulene
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6,18-dihexyl-12-selenapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 140761132
1-butyl-4-nonylbenzene
CID 59545302
1-methyl-4-octylbenzene
CID 11052746
1-pentadecyl-4-phenylbenzene
CID 57166115
2-octylanthracene
CID 23131226
1,3-bis[4-[2-[4-(4-hexylphenyl)phenyl]ethyl]phenyl]benzene
CID 58085049
1,3-bis[4-[2-(4-hexylphenyl)ethyl]phenyl]benzene
CID 58085021
1-bromo-4-dodecylbenzene
CID 15120506
1-bromo-4-hexadecylbenzene
CID 598602
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985

Frequently Asked Questions

What is the IUPAC name of 2-(4-decylphenyl)-[1]benzotellurolo[6,5-f][1]benzoselenole?
The IUPAC name of 2-(4-decylphenyl)-[1]benzotellurolo[6,5-f][1]benzoselenole (CID 153495190) is 2-(4-decylphenyl)-[1]benzotellurolo[6,5-f][1]benzoselenole.
What is the SMILES notation for 2-(4-decylphenyl)-[1]benzotellurolo[6,5-f][1]benzoselenole?
The canonical SMILES for 2-(4-decylphenyl)-[1]benzotellurolo[6,5-f][1]benzoselenole is CCCCCCCCCCc1ccc(-c2cc3cc4cc5[te]ccc5cc4cc3[se]2)cc1.
What is the InChIKey of 2-(4-decylphenyl)-[1]benzotellurolo[6,5-f][1]benzoselenole?
The InChIKey is HVTZXUQXLSETAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32SeTe/c1-2-3-4-5-6-7-8-9-10-22-11-13-23(14-12-22)28-20-27-18-26-21-30-24(15-16-32-30)17-25(26)19-29(27)31-28/h11-21H,2-10H2,1H3.
What are the key properties of 2-(4-decylphenyl)-[1]benzotellurolo[6,5-f][1]benzoselenole?
2-(4-decylphenyl)-[1]benzotellurolo[6,5-f][1]benzoselenole has a molecular weight of 599.15 g/mol, XLogP of 8.61, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-decylphenyl)-[1]benzotellurolo[6,5-f][1]benzoselenole is sourced from PubChem (CID 153495190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).