spiro[thioxanthene-9,9'-xanthene]

C25H16OS — CID 59096341

IUPACspiro[thioxanthene-9,9'-xanthene]
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2Sc2ccccc21
InChIInChI=1S/C25H16OS/c1-5-13-21-17(9-1)25(18-10-2-6-14-22(18)26-21)19-11-3-7-15-23(19)27-24-16-8-4-12-20(24)25/h1-16H
InChIKeyYVLIIRXPPYDMQF-UHFFFAOYSA-N
MW364.47 g/mol
LogP6.64
Rot. Bonds

About spiro[thioxanthene-9,9'-xanthene]

spiro[thioxanthene-9,9'-xanthene] (PubChem CID 59096341) has the molecular formula C25H16OS and a molecular weight of 364.47 g/mol. Its IUPAC name is spiro[thioxanthene-9,9'-xanthene].

Molecular Properties

Compound Namespiro[thioxanthene-9,9'-xanthene]
PubChem CID59096341
Molecular FormulaC25H16OS
Molecular Weight364.47 g/mol
Exact Mass364.09
IUPAC Namespiro[thioxanthene-9,9'-xanthene]
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2Sc2ccccc21
InChIInChI=1S/C25H16OS/c1-5-13-21-17(9-1)25(18-10-2-6-14-22(18)26-21)19-11-3-7-15-23(19)27-24-16-8-4-12-20(24)25/h1-16H
InChIKeyYVLIIRXPPYDMQF-UHFFFAOYSA-N
XLogP6.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.47
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[fluorene-9,9'-thioxanthene];spiro[fluorene-9,9'-xanthene]
CID 159396129
N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476077
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine
CID 164707025
N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476743
N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138477523
N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476176
N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138476782
N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476078
N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138477601
N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476091
N-dibenzofuran-1-yl-N-phenylspiro[thioxanthene-9,9'-xanthene]-2'-amine
CID 146720375
N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-spiro[fluorene-9,9'-thioxanthene]-4-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-spiro[fluorene-9,9'-xanthene]-2-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 160801103

Frequently Asked Questions

What is the IUPAC name of spiro[thioxanthene-9,9'-xanthene]?
The IUPAC name of spiro[thioxanthene-9,9'-xanthene] (CID 59096341) is spiro[thioxanthene-9,9'-xanthene].
What is the SMILES notation for spiro[thioxanthene-9,9'-xanthene]?
The canonical SMILES for spiro[thioxanthene-9,9'-xanthene] is c1ccc2c(c1)Oc1ccccc1C21c2ccccc2Sc2ccccc21.
What is the InChIKey of spiro[thioxanthene-9,9'-xanthene]?
The InChIKey is YVLIIRXPPYDMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16OS/c1-5-13-21-17(9-1)25(18-10-2-6-14-22(18)26-21)19-11-3-7-15-23(19)27-24-16-8-4-12-20(24)25/h1-16H.
What are the key properties of spiro[thioxanthene-9,9'-xanthene]?
spiro[thioxanthene-9,9'-xanthene] has a molecular weight of 364.47 g/mol, XLogP of 6.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[thioxanthene-9,9'-xanthene] is sourced from PubChem (CID 59096341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).