1'-bromospiro[fluorene-9,9'-thioxanthene]

C25H15BrS — CID 175709351

IUPAC1'-bromospiro[fluorene-9,9'-thioxanthene]
SMILESBrc1cccc2c1C1(c3ccccc3S2)c2ccccc2-c2ccccc21
InChIInChI=1S/C25H15BrS/c26-21-13-7-15-23-24(21)25(20-12-5-6-14-22(20)27-23)18-10-3-1-8-16(18)17-9-2-4-11-19(17)25/h1-15H
InChIKeyLTEGFXYFPCZVPK-UHFFFAOYSA-N
MW427.37 g/mol
LogP7.28
Rot. Bonds

About 1'-bromospiro[fluorene-9,9'-thioxanthene]

1'-bromospiro[fluorene-9,9'-thioxanthene] (PubChem CID 175709351) has the molecular formula C25H15BrS and a molecular weight of 427.37 g/mol. Its IUPAC name is 1'-bromospiro[fluorene-9,9'-thioxanthene].

Molecular Properties

Compound Name1'-bromospiro[fluorene-9,9'-thioxanthene]
PubChem CID175709351
Molecular FormulaC25H15BrS
Molecular Weight427.37 g/mol
Exact Mass426.01
IUPAC Name1'-bromospiro[fluorene-9,9'-thioxanthene]
SMILESBrc1cccc2c1C1(c3ccccc3S2)c2ccccc2-c2ccccc21
InChIInChI=1S/C25H15BrS/c26-21-13-7-15-23-24(21)25(20-12-5-6-14-22(20)27-23)18-10-3-1-8-16(18)17-9-2-4-11-19(17)25/h1-15H
InChIKeyLTEGFXYFPCZVPK-UHFFFAOYSA-N
XLogP7.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.37
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

spiro[fluorene-9,9'-thioxanthene];spiro[fluorene-9,9'-xanthene]
CID 159396129
1'-bromospiro[9H-anthracene-10,9'-fluorene]
CID 142509759
CID 101264083
CID 101264083
1-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 142567703
4-bromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 121391692
11'-bromospiro[benzo[b]thioxanthene-12,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]
CID 134571729
1',7'-diphenyl-9,9'-spirobi[thioxanthene];1',8'-diphenyl-9,9'-spirobi[thioxanthene]
CID 159876269
4',5'-diphenyl-9,9'-spirobi[thioxanthene]
CID 118698141
spiro[fluorene-9,9'-thioxanthene]-4'-ylboronic acid
CID 151126427
N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
CID 138476081
N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476029
3'-(4-chloro-2-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]
CID 166844662

Frequently Asked Questions

What is the IUPAC name of 1'-bromospiro[fluorene-9,9'-thioxanthene]?
The IUPAC name of 1'-bromospiro[fluorene-9,9'-thioxanthene] (CID 175709351) is 1'-bromospiro[fluorene-9,9'-thioxanthene].
What is the SMILES notation for 1'-bromospiro[fluorene-9,9'-thioxanthene]?
The canonical SMILES for 1'-bromospiro[fluorene-9,9'-thioxanthene] is Brc1cccc2c1C1(c3ccccc3S2)c2ccccc2-c2ccccc21.
What is the InChIKey of 1'-bromospiro[fluorene-9,9'-thioxanthene]?
The InChIKey is LTEGFXYFPCZVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15BrS/c26-21-13-7-15-23-24(21)25(20-12-5-6-14-22(20)27-23)18-10-3-1-8-16(18)17-9-2-4-11-19(17)25/h1-15H.
What are the key properties of 1'-bromospiro[fluorene-9,9'-thioxanthene]?
1'-bromospiro[fluorene-9,9'-thioxanthene] has a molecular weight of 427.37 g/mol, XLogP of 7.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-bromospiro[fluorene-9,9'-thioxanthene] is sourced from PubChem (CID 175709351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).