2,6-diphenyl-9,9'-spirobi[thioxanthene]

C37H24S2 — CID 118698152

IUPAC2,6-diphenyl-9,9'-spirobi[thioxanthene]
SMILESc1ccc(-c2ccc3c(c2)Sc2ccc(-c4ccccc4)cc2C32c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C37H24S2/c1-3-11-25(12-4-1)27-20-22-35-32(23-27)37(29-15-7-9-17-33(29)38-34-18-10-8-16-30(34)37)31-21-19-28(24-36(31)39-35)26-13-5-2-6-14-26/h1-24H
InChIKeyXXODYXIFCGDUNK-UHFFFAOYSA-N
MW532.73 g/mol
LogP10.33
Rot. Bonds2

About 2,6-diphenyl-9,9'-spirobi[thioxanthene]

2,6-diphenyl-9,9'-spirobi[thioxanthene] (PubChem CID 118698152) has the molecular formula C37H24S2 and a molecular weight of 532.73 g/mol. Its IUPAC name is 2,6-diphenyl-9,9'-spirobi[thioxanthene].

Molecular Properties

Compound Name2,6-diphenyl-9,9'-spirobi[thioxanthene]
PubChem CID118698152
Molecular FormulaC37H24S2
Molecular Weight532.73 g/mol
Exact Mass532.13
IUPAC Name2,6-diphenyl-9,9'-spirobi[thioxanthene]
SMILESc1ccc(-c2ccc3c(c2)Sc2ccc(-c4ccccc4)cc2C32c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C37H24S2/c1-3-11-25(12-4-1)27-20-22-35-32(23-27)37(29-15-7-9-17-33(29)38-34-18-10-8-16-30(34)37)31-21-19-28(24-36(31)39-35)26-13-5-2-6-14-26/h1-24H
InChIKeyXXODYXIFCGDUNK-UHFFFAOYSA-N
XLogP10.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.73
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3',6,6'-tetraphenyl-9,9'-spirobi[thioxanthene]
CID 118698488
2'-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-9,9-dimethylspiro[anthracene-10,9'-thioxanthene]
CID 166995957
1',5'-diphenyl-9,9'-spirobi[thioxanthene];1,6-diphenyl-9,9'-spirobi[thioxanthene];2',5'-diphenyl-9,9'-spirobi[thioxanthene];2,6-diphenyl-9,9'-spirobi[thioxanthene];2',7'-diphenyl-9,9'-spirobi[thioxanthene];3,5-diphenyl-9,9'-spirobi[thioxanthene];3,6-diphenyl-9,9'-spirobi[thioxanthene];4',5'-diphenyl-9,9'-spirobi[thioxanthene]
CID 162076830
4,6-bis(4-phenylphenyl)-2-[6'-[3-[4-(6-phenyl-2-spiro[fluorene-9,9'-thioxanthene]-2'-ylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]pyrimidine
CID 166737876
1,1'-diphenyl-9,9'-spirobi[thioxanthene];1',2-diphenyl-9,9'-spirobi[thioxanthene];1',3-diphenyl-9,9'-spirobi[thioxanthene];1,4'-diphenyl-9,9'-spirobi[thioxanthene];2,2'-diphenyl-9,9'-spirobi[thioxanthene];bis(2',3-diphenyl-9,9'-spirobi[thioxanthene]);3,3'-diphenyl-9,9'-spirobi[thioxanthene]
CID 160734035
9-phenyl-3-(3-phenyl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole
CID 118698300
9-phenyl-3-(2'-phenyl-9,9'-spirobi[thioxanthene]-3-yl)carbazole
CID 118698297
9-phenyl-2-(2'-phenyl-9,9'-spirobi[thioxanthene]-3-yl)carbazole
CID 118698311
9-phenyl-2-(6-phenyl-9,9'-spirobi[thioxanthene]-2-yl)carbazole
CID 118698357
1',7'-diphenyl-9,9'-spirobi[thioxanthene];1',8'-diphenyl-9,9'-spirobi[thioxanthene]
CID 159876269
2-[4-(9,9-diphenylthioxanthen-3-yl)phenyl]-4,6-diphenylpyridine
CID 146398139
3-[3-(6-phenyl-9,9'-spirobi[thioxanthene]-3-yl)phenyl]pyridine
CID 118698507

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-9,9'-spirobi[thioxanthene]?
The IUPAC name of 2,6-diphenyl-9,9'-spirobi[thioxanthene] (CID 118698152) is 2,6-diphenyl-9,9'-spirobi[thioxanthene].
What is the SMILES notation for 2,6-diphenyl-9,9'-spirobi[thioxanthene]?
The canonical SMILES for 2,6-diphenyl-9,9'-spirobi[thioxanthene] is c1ccc(-c2ccc3c(c2)Sc2ccc(-c4ccccc4)cc2C32c3ccccc3Sc3ccccc32)cc1.
What is the InChIKey of 2,6-diphenyl-9,9'-spirobi[thioxanthene]?
The InChIKey is XXODYXIFCGDUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24S2/c1-3-11-25(12-4-1)27-20-22-35-32(23-27)37(29-15-7-9-17-33(29)38-34-18-10-8-16-30(34)37)31-21-19-28(24-36(31)39-35)26-13-5-2-6-14-26/h1-24H.
What are the key properties of 2,6-diphenyl-9,9'-spirobi[thioxanthene]?
2,6-diphenyl-9,9'-spirobi[thioxanthene] has a molecular weight of 532.73 g/mol, XLogP of 10.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-9,9'-spirobi[thioxanthene] is sourced from PubChem (CID 118698152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).