2-decyl-7-phenyl-[1]benzotellurolo[5,6-f][1]benzothiole

C30H32STe — CID 153495193

IUPAC2-decyl-7-phenyl-[1]benzotellurolo[5,6-f][1]benzothiole
SMILESCCCCCCCCCCc1cc2cc3cc4cc(-c5ccccc5)[te]c4cc3cc2s1
InChIInChI=1S/C30H32STe/c1-2-3-4-5-6-7-8-12-15-27-18-25-16-23-17-26-21-29(22-13-10-9-11-14-22)32-30(26)20-24(23)19-28(25)31-27/h9-11,13-14,16-21H,2-8,12,15H2,1H3
InChIKeyCLNVDMQNTKYISC-UHFFFAOYSA-N
MW552.25 g/mol
LogP9.61
Rot. Bonds10

About 2-decyl-7-phenyl-[1]benzotellurolo[5,6-f][1]benzothiole

2-decyl-7-phenyl-[1]benzotellurolo[5,6-f][1]benzothiole (PubChem CID 153495193) has the molecular formula C30H32STe and a molecular weight of 552.25 g/mol. Its IUPAC name is 2-decyl-7-phenyl-[1]benzotellurolo[5,6-f][1]benzothiole.

Molecular Properties

Compound Name2-decyl-7-phenyl-[1]benzotellurolo[5,6-f][1]benzothiole
PubChem CID153495193
Molecular FormulaC30H32STe
Molecular Weight552.25 g/mol
Exact Mass554.13
IUPAC Name2-decyl-7-phenyl-[1]benzotellurolo[5,6-f][1]benzothiole
SMILESCCCCCCCCCCc1cc2cc3cc4cc(-c5ccccc5)[te]c4cc3cc2s1
InChIInChI=1S/C30H32STe/c1-2-3-4-5-6-7-8-12-15-27-18-25-16-23-17-26-21-29(22-13-10-9-11-14-22)32-30(26)20-24(23)19-28(25)31-27/h9-11,13-14,16-21H,2-8,12,15H2,1H3
InChIKeyCLNVDMQNTKYISC-UHFFFAOYSA-N
XLogP9.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.25
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

19-dodecyl-20-thiahexacyclo[12.11.0.02,11.04,9.015,23.017,21]pentacosa-1(14),2,4,6,8,10,12,15,17(21),18,22,24-dodecaene
CID 58411035
7-(5-decylthiophen-2-yl)-[1]benzotellurolo[5,6-f][1]benzothiole
CID 153495211
7-bromo-2-decyl-6-(2-phenylethynyl)benzo[f][1]benzothiole
CID 153456415
6,18-didecyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene
CID 58411235
6,18-di(undecyl)-5,17-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene
CID 58411231
6,18-di(undecyl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene
CID 58411074
6,18-didodecyl-5,17-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene
CID 58410775
2-decyl-7-phenyl-1-benzothiophene
CID 155339155
2-butyl-1-benzothiophene
CID 70061043
chlorozinc(1+);6,17-dibromo-7,16-dithiapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),5,9,11,13,15(19),17-nonaene;6,17-dioctyl-7,16-dithiapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),5,9,11,13,15(19),17-nonaene;methane;octane
CID 159204517
2,5-dioctylthieno[3,2-b]thiophene
CID 139270896
6,17-dioctyl-7,11,18,22-tetrathiahexacyclo[10.10.0.02,10.04,8.013,21.015,19]docosa-1(12),2(10),3,5,8,13(21),14,16,19-nonaene
CID 70836998

Frequently Asked Questions

What is the IUPAC name of 2-decyl-7-phenyl-[1]benzotellurolo[5,6-f][1]benzothiole?
The IUPAC name of 2-decyl-7-phenyl-[1]benzotellurolo[5,6-f][1]benzothiole (CID 153495193) is 2-decyl-7-phenyl-[1]benzotellurolo[5,6-f][1]benzothiole.
What is the SMILES notation for 2-decyl-7-phenyl-[1]benzotellurolo[5,6-f][1]benzothiole?
The canonical SMILES for 2-decyl-7-phenyl-[1]benzotellurolo[5,6-f][1]benzothiole is CCCCCCCCCCc1cc2cc3cc4cc(-c5ccccc5)[te]c4cc3cc2s1.
What is the InChIKey of 2-decyl-7-phenyl-[1]benzotellurolo[5,6-f][1]benzothiole?
The InChIKey is CLNVDMQNTKYISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32STe/c1-2-3-4-5-6-7-8-12-15-27-18-25-16-23-17-26-21-29(22-13-10-9-11-14-22)32-30(26)20-24(23)19-28(25)31-27/h9-11,13-14,16-21H,2-8,12,15H2,1H3.
What are the key properties of 2-decyl-7-phenyl-[1]benzotellurolo[5,6-f][1]benzothiole?
2-decyl-7-phenyl-[1]benzotellurolo[5,6-f][1]benzothiole has a molecular weight of 552.25 g/mol, XLogP of 9.61, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-7-phenyl-[1]benzotellurolo[5,6-f][1]benzothiole is sourced from PubChem (CID 153495193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).