4',5'-diphenyl-9,9'-spirobi[thioxanthene]

C37H24S2 — CID 118698141

IUPAC4',5'-diphenyl-9,9'-spirobi[thioxanthene]
SMILESc1ccc(-c2cccc3c2Sc2c(-c4ccccc4)cccc2C32c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C37H24S2/c1-3-13-25(14-4-1)27-17-11-21-31-35(27)39-36-28(26-15-5-2-6-16-26)18-12-22-32(36)37(31)29-19-7-9-23-33(29)38-34-24-10-8-20-30(34)37/h1-24H
InChIKeyAZMFDAGAZGZFOA-UHFFFAOYSA-N
MW532.73 g/mol
LogP10.33
Rot. Bonds2

About 4',5'-diphenyl-9,9'-spirobi[thioxanthene]

4',5'-diphenyl-9,9'-spirobi[thioxanthene] (PubChem CID 118698141) has the molecular formula C37H24S2 and a molecular weight of 532.73 g/mol. Its IUPAC name is 4',5'-diphenyl-9,9'-spirobi[thioxanthene].

Molecular Properties

Compound Name4',5'-diphenyl-9,9'-spirobi[thioxanthene]
PubChem CID118698141
Molecular FormulaC37H24S2
Molecular Weight532.73 g/mol
Exact Mass532.13
IUPAC Name4',5'-diphenyl-9,9'-spirobi[thioxanthene]
SMILESc1ccc(-c2cccc3c2Sc2c(-c4ccccc4)cccc2C32c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C37H24S2/c1-3-13-25(14-4-1)27-17-11-21-31-35(27)39-36-28(26-15-5-2-6-16-26)18-12-22-32(36)37(31)29-19-7-9-23-33(29)38-34-24-10-8-20-30(34)37/h1-24H
InChIKeyAZMFDAGAZGZFOA-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

2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-thioxanthene]-4'-ylphenyl)-1,3,5-triazine
CID 142469864
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
2-phenyl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine
CID 146326974
9-phenyl-3-(5'-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole
CID 118698364
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
2,4-diphenyl-6-[3-(4-spiro[fluorene-9,9'-thioxanthene]-4'-ylphenyl)phenyl]-1,3,5-triazine
CID 146326981
2-phenyl-4-(2-phenylphenyl)-6-[3-(3-spiro[fluorene-9,9'-thioxanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 167177866
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine
CID 153049310
9-phenyl-4-(5-phenyl-9,9'-spirobi[thioxanthene]-3-yl)carbazole
CID 118698376
4-phenyl-6-(3-phenylphenyl)-2-(3-spiro[fluorene-9,9'-thioxanthene]-4'-ylphenyl)pyrimidine
CID 167178243
2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(2-spiro[fluorene-9,9'-thioxanthene]-4'-ylphenyl)-1,3,5-triazine
CID 166737804
1',7'-diphenyl-9,9'-spirobi[thioxanthene];1',8'-diphenyl-9,9'-spirobi[thioxanthene]
CID 159876269

Frequently Asked Questions

What is the IUPAC name of 4',5'-diphenyl-9,9'-spirobi[thioxanthene]?
The IUPAC name of 4',5'-diphenyl-9,9'-spirobi[thioxanthene] (CID 118698141) is 4',5'-diphenyl-9,9'-spirobi[thioxanthene].
What is the SMILES notation for 4',5'-diphenyl-9,9'-spirobi[thioxanthene]?
The canonical SMILES for 4',5'-diphenyl-9,9'-spirobi[thioxanthene] is c1ccc(-c2cccc3c2Sc2c(-c4ccccc4)cccc2C32c3ccccc3Sc3ccccc32)cc1.
What is the InChIKey of 4',5'-diphenyl-9,9'-spirobi[thioxanthene]?
The InChIKey is AZMFDAGAZGZFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24S2/c1-3-13-25(14-4-1)27-17-11-21-31-35(27)39-36-28(26-15-5-2-6-16-26)18-12-22-32(36)37(31)29-19-7-9-23-33(29)38-34-24-10-8-20-30(34)37/h1-24H.
What are the key properties of 4',5'-diphenyl-9,9'-spirobi[thioxanthene]?
4',5'-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 4',5'-diphenyl-9,9'-spirobi[thioxanthene] is sourced from PubChem (CID 118698141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).