2-dibenzothiophen-4-yl-6-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)pyridine

C41H47NS — CID 140875796

IUPAC2-dibenzothiophen-4-yl-6-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)pyridine
SMILESc1cc(-c2cccc3c2sc2ccccc23)nc(C2CCC3C(C2)C2CCCC4C5CCCCC5C5CCCC3C5C42)c1
InChIInChI=1S/C41H47NS/c1-2-10-26-25(9-1)29-12-5-14-31-27-22-21-24(23-35(27)32-15-6-13-30(26)40(32)39(29)31)36-18-8-19-37(42-36)34-17-7-16-33-28-11-3-4-20-38(28)43-41(33)34/h3-4,7-8,11,16-20,24-27,29-32,35,39-40H,1-2,5-6,9-10,12-15,21-23H2
InChIKeyXSRNLTWFARYXJT-UHFFFAOYSA-N
MW585.90 g/mol
LogP11.52
Rot. Bonds2

About 2-dibenzothiophen-4-yl-6-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)pyridine

2-dibenzothiophen-4-yl-6-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)pyridine (PubChem CID 140875796) has the molecular formula C41H47NS and a molecular weight of 585.90 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-6-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)pyridine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-6-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)pyridine
PubChem CID140875796
Molecular FormulaC41H47NS
Molecular Weight585.90 g/mol
Exact Mass585.34
IUPAC Name2-dibenzothiophen-4-yl-6-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)pyridine
SMILESc1cc(-c2cccc3c2sc2ccccc23)nc(C2CCC3C(C2)C2CCCC4C5CCCCC5C5CCCC3C5C42)c1
InChIInChI=1S/C41H47NS/c1-2-10-26-25(9-1)29-12-5-14-31-27-22-21-24(23-35(27)32-15-6-13-30(26)40(32)39(29)31)36-18-8-19-37(42-36)34-17-7-16-33-28-11-3-4-20-38(28)43-41(33)34/h3-4,7-8,11,16-20,24-27,29-32,35,39-40H,1-2,5-6,9-10,12-15,21-23H2
InChIKeyXSRNLTWFARYXJT-UHFFFAOYSA-N
XLogP11.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.90
LogP ≤ 511.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-dibenzothiophen-4-yl-6-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)pyridine with MolForge

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Related Compounds

4-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)-6-phenyldibenzothiophene
CID 140875787
9-dibenzothiophen-4-yl-3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)carbazole
CID 140875802
6-dibenzothiophen-4-yl-N-pyridin-2-ylpyridin-2-amine
CID 102496572
10-[3-(7-heptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triacontanyl)phenyl]naphtho[1,2-b][1]benzothiole
CID 140875829
2-[3-(7-heptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triacontanyl)phenyl]dibenzothiophene
CID 140875800
N-[4-(6-dibenzothiophen-4-yl-2-pyridinyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121261358
4-cyclopropyldibenzothiophene
CID 54752889
4-benzyl-2-dibenzothiophen-4-ylpyridine
CID 162707665
2-dibenzothiophen-4-yl-5,5-dimethylindeno[1,2-b]pyridine
CID 59747125
2-dibenzothiophen-4-yl-7H-cyclohepta[b]pyridine
CID 144975716
2-dibenzothiophen-4-yl-9-[3-(9-dibenzothiophen-4-yl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 90050285
4-[3,5-di(dibenzothiophen-4-yl)phenyl]-2,6-diphenylpyridine
CID 59133526

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-6-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)pyridine?
The IUPAC name of 2-dibenzothiophen-4-yl-6-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)pyridine (CID 140875796) is 2-dibenzothiophen-4-yl-6-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)pyridine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-6-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)pyridine?
The canonical SMILES for 2-dibenzothiophen-4-yl-6-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)pyridine is c1cc(-c2cccc3c2sc2ccccc23)nc(C2CCC3C(C2)C2CCCC4C5CCCCC5C5CCCC3C5C42)c1.
What is the InChIKey of 2-dibenzothiophen-4-yl-6-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)pyridine?
The InChIKey is XSRNLTWFARYXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H47NS/c1-2-10-26-25(9-1)29-12-5-14-31-27-22-21-24(23-35(27)32-15-6-13-30(26)40(32)39(29)31)36-18-8-19-37(42-36)34-17-7-16-33-28-11-3-4-20-38(28)43-41(33)34/h3-4,7-8,11,16-20,24-27,29-32,35,39-40H,1-2,5-6,9-10,12-15,21-23H2.
What are the key properties of 2-dibenzothiophen-4-yl-6-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)pyridine?
2-dibenzothiophen-4-yl-6-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)pyridine has a molecular weight of 585.90 g/mol, XLogP of 11.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-6-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)pyridine is sourced from PubChem (CID 140875796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).