spiro[dibenzothiophene-5,5'-thianthrene]

C24H16S2 — CID 167175513

IUPACspiro[dibenzothiophene-5,5'-thianthrene]
SMILESc1ccc2c(c1)Sc1ccccc1S21c2ccccc2-c2ccccc21
InChIInChI=1S/C24H16S2/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)26(21)23-15-7-3-11-19(23)25-20-12-4-8-16-24(20)26/h1-16H
InChIKeyXBNAXHJCWGLKEC-UHFFFAOYSA-N
MW368.53 g/mol
LogP7.47
Rot. Bonds

About spiro[dibenzothiophene-5,5'-thianthrene]

spiro[dibenzothiophene-5,5'-thianthrene] (PubChem CID 167175513) has the molecular formula C24H16S2 and a molecular weight of 368.53 g/mol. Its IUPAC name is spiro[dibenzothiophene-5,5'-thianthrene].

Molecular Properties

Compound Namespiro[dibenzothiophene-5,5'-thianthrene]
PubChem CID167175513
Molecular FormulaC24H16S2
Molecular Weight368.53 g/mol
Exact Mass368.07
IUPAC Namespiro[dibenzothiophene-5,5'-thianthrene]
SMILESc1ccc2c(c1)Sc1ccccc1S21c2ccccc2-c2ccccc21
InChIInChI=1S/C24H16S2/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)26(21)23-15-7-3-11-19(23)25-20-12-4-8-16-24(20)26/h1-16H
InChIKeyXBNAXHJCWGLKEC-UHFFFAOYSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.53
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[dibenzothiophene-5,5'-thianthrene]?
The IUPAC name of spiro[dibenzothiophene-5,5'-thianthrene] (CID 167175513) is spiro[dibenzothiophene-5,5'-thianthrene].
What is the SMILES notation for spiro[dibenzothiophene-5,5'-thianthrene]?
The canonical SMILES for spiro[dibenzothiophene-5,5'-thianthrene] is c1ccc2c(c1)Sc1ccccc1S21c2ccccc2-c2ccccc21.
What is the InChIKey of spiro[dibenzothiophene-5,5'-thianthrene]?
The InChIKey is XBNAXHJCWGLKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16S2/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)26(21)23-15-7-3-11-19(23)25-20-12-4-8-16-24(20)26/h1-16H.
What are the key properties of spiro[dibenzothiophene-5,5'-thianthrene]?
spiro[dibenzothiophene-5,5'-thianthrene] has a molecular weight of 368.53 g/mol, XLogP of 7.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[dibenzothiophene-5,5'-thianthrene] is sourced from PubChem (CID 167175513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).