2-[4-(9,9-diphenylthioxanthen-3-yl)phenyl]-4,6-diphenylpyridine

C48H33NS — CID 146398139

IUPAC2-[4-(9,9-diphenylthioxanthen-3-yl)phenyl]-4,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)Sc4ccccc4C5(c4ccccc4)c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C48H33NS/c1-5-15-34(16-6-1)39-31-44(36-17-7-2-8-18-36)49-45(32-39)37-27-25-35(26-28-37)38-29-30-43-47(33-38)50-46-24-14-13-23-42(46)48(43,40-19-9-3-10-20-40)41-21-11-4-12-22-41/h1-33H
InChIKeyFOZXLLIUYGHPTI-UHFFFAOYSA-N
MW655.87 g/mol
LogP12.60
Rot. Bonds6

About 2-[4-(9,9-diphenylthioxanthen-3-yl)phenyl]-4,6-diphenylpyridine

2-[4-(9,9-diphenylthioxanthen-3-yl)phenyl]-4,6-diphenylpyridine (PubChem CID 146398139) has the molecular formula C48H33NS and a molecular weight of 655.87 g/mol. Its IUPAC name is 2-[4-(9,9-diphenylthioxanthen-3-yl)phenyl]-4,6-diphenylpyridine.

Molecular Properties

Compound Name2-[4-(9,9-diphenylthioxanthen-3-yl)phenyl]-4,6-diphenylpyridine
PubChem CID146398139
Molecular FormulaC48H33NS
Molecular Weight655.87 g/mol
Exact Mass655.23
IUPAC Name2-[4-(9,9-diphenylthioxanthen-3-yl)phenyl]-4,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)Sc4ccccc4C5(c4ccccc4)c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C48H33NS/c1-5-15-34(16-6-1)39-31-44(36-17-7-2-8-18-36)49-45(32-39)37-27-25-35(26-28-37)38-29-30-43-47(33-38)50-46-24-14-13-23-42(46)48(43,40-19-9-3-10-20-40)41-21-11-4-12-22-41/h1-33H
InChIKeyFOZXLLIUYGHPTI-UHFFFAOYSA-N
XLogP12.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.87
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(9,9-diphenylthioxanthen-3-yl)phenyl]-4,6-diphenylpyridine
CID 146398143
2,6-diphenyl-9,9'-spirobi[thioxanthene]
CID 118698152
2,4-diphenyl-6-[4-[4-(9-phenylthioxanthen-9-yl)phenyl]phenyl]-1,3,5-triazine
CID 146388529
2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenylpyridine
CID 134272003
3,3',6,6'-tetraphenyl-9,9'-spirobi[thioxanthene]
CID 118698488
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
2-[3-[3-[9-[3-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]thioxanthen-9-yl]phenyl]phenyl]-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine
CID 88886322
2,4-diphenyl-6-(4-spiro[benzo[b]thioxanthene-12,9'-fluorene]-3-ylphenyl)pyrimidine
CID 155054832
2-[3-(9,9-diphenylxanthen-3-yl)phenyl]-4,6-diphenylpyridine
CID 146388732
2-dibenzothiophen-2-yl-4-(9,9-diphenylthioxanthen-3-yl)-6-phenyl-1,3,5-triazine
CID 146398203
4-[4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-3'-yl)phenyl]-2-phenyl-6-pyridin-2-ylpyrimidine
CID 166995592
2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-thioxanthene]-3'-ylphenyl)-1,3,5-triazine
CID 166738043

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,9-diphenylthioxanthen-3-yl)phenyl]-4,6-diphenylpyridine?
The IUPAC name of 2-[4-(9,9-diphenylthioxanthen-3-yl)phenyl]-4,6-diphenylpyridine (CID 146398139) is 2-[4-(9,9-diphenylthioxanthen-3-yl)phenyl]-4,6-diphenylpyridine.
What is the SMILES notation for 2-[4-(9,9-diphenylthioxanthen-3-yl)phenyl]-4,6-diphenylpyridine?
The canonical SMILES for 2-[4-(9,9-diphenylthioxanthen-3-yl)phenyl]-4,6-diphenylpyridine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)Sc4ccccc4C5(c4ccccc4)c4ccccc4)cc3)c2)cc1.
What is the InChIKey of 2-[4-(9,9-diphenylthioxanthen-3-yl)phenyl]-4,6-diphenylpyridine?
The InChIKey is FOZXLLIUYGHPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NS/c1-5-15-34(16-6-1)39-31-44(36-17-7-2-8-18-36)49-45(32-39)37-27-25-35(26-28-37)38-29-30-43-47(33-38)50-46-24-14-13-23-42(46)48(43,40-19-9-3-10-20-40)41-21-11-4-12-22-41/h1-33H.
What are the key properties of 2-[4-(9,9-diphenylthioxanthen-3-yl)phenyl]-4,6-diphenylpyridine?
2-[4-(9,9-diphenylthioxanthen-3-yl)phenyl]-4,6-diphenylpyridine has a molecular weight of 655.87 g/mol, XLogP of 12.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,9-diphenylthioxanthen-3-yl)phenyl]-4,6-diphenylpyridine is sourced from PubChem (CID 146398139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).