spiro[fluorene-9,9'-thioxanthene];spiro[fluorene-9,9'-xanthene]

C50H32OS — CID 159396129

IUPACspiro[fluorene-9,9'-thioxanthene];spiro[fluorene-9,9'-xanthene]
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C25H16O.C25H16S/c2*1-3-11-19-17(9-1)18-10-2-4-12-20(18)25(19)21-13-5-7-15-23(21)26-24-16-8-6-14-22(24)25/h2*1-16H
InChIKeyLMSVIRZRJWEXEV-UHFFFAOYSA-N
MW680.87 g/mol
LogP12.67
Rot. Bonds

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

spiro[fluorene-9,9'-thioxanthene];spiro[fluorene-9,9'-xanthene] (PubChem CID 159396129) has the molecular formula C50H32OS and a molecular weight of 680.87 g/mol. Its IUPAC name is spiro[fluorene-9,9'-thioxanthene];spiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Namespiro[fluorene-9,9'-thioxanthene];spiro[fluorene-9,9'-xanthene]
PubChem CID159396129
Molecular FormulaC50H32OS
Molecular Weight680.87 g/mol
Exact Mass680.22
IUPAC Namespiro[fluorene-9,9'-thioxanthene];spiro[fluorene-9,9'-xanthene]
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C25H16O.C25H16S/c2*1-3-11-19-17(9-1)18-10-2-4-12-20(18)25(19)21-13-5-7-15-23(21)26-24-16-8-6-14-22(24)25/h2*1-16H
InChIKeyLMSVIRZRJWEXEV-UHFFFAOYSA-N
XLogP12.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.87
LogP ≤ 512.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[thioxanthene-9,9'-xanthene]
CID 59096341
boric acid;spiro[fluorene-9,9'-xanthene]
CID 175979012
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-(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-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
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-1-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138476285

Frequently Asked Questions

What is the IUPAC name of spiro[fluorene-9,9'-thioxanthene];spiro[fluorene-9,9'-xanthene]?
The IUPAC name of spiro[fluorene-9,9'-thioxanthene];spiro[fluorene-9,9'-xanthene] (CID 159396129) is spiro[fluorene-9,9'-thioxanthene];spiro[fluorene-9,9'-xanthene].
What is the SMILES notation for spiro[fluorene-9,9'-thioxanthene];spiro[fluorene-9,9'-xanthene]?
The canonical SMILES for spiro[fluorene-9,9'-thioxanthene];spiro[fluorene-9,9'-xanthene] is c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of spiro[fluorene-9,9'-thioxanthene];spiro[fluorene-9,9'-xanthene]?
The InChIKey is LMSVIRZRJWEXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16O.C25H16S/c2*1-3-11-19-17(9-1)18-10-2-4-12-20(18)25(19)21-13-5-7-15-23(21)26-24-16-8-6-14-22(24)25/h2*1-16H.
What are the key properties of spiro[fluorene-9,9'-thioxanthene];spiro[fluorene-9,9'-xanthene]?
spiro[fluorene-9,9'-thioxanthene];spiro[fluorene-9,9'-xanthene] has a molecular weight of 680.87 g/mol, XLogP of 12.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[fluorene-9,9'-thioxanthene];spiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 159396129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).