3-(1-deuteriocyclopentyl)-9,9-dimethyl-4-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thioxanthene;5,5-dimethyl-9-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thiochromeno[2,3-b]pyridine;5,5,8-trimethyl-9-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thiochromeno[2,3-b]pyridine

C175H134N2S3 — CID 157303707

IUPAC3-(1-deuteriocyclopentyl)-9,9-dimethyl-4-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thioxanthene;5,5-dimethyl-9-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thiochromeno[2,3-b]pyridine;5,5,8-trimethyl-9-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thiochromeno[2,3-b]pyridine
SMILESCC1(C)c2cccnc2Sc2c(-c3ccc(-c4c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4-c4ccccc4)cc3)cccc21.Cc1ccc2c(c1-c1ccc(-c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)cc1)Sc1ncccc1C2(C)C.[2H]C1(c2ccc3c(c2-c2cccc(-c4c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4-c4ccccc4)c2)Sc2ccccc2C3(C)C)CCCC1
InChIInChI=1S/C62H50S.C57H43NS.C56H41NS/c1-62(2)51-37-20-21-38-53(51)63-61-52(62)40-39-50(42-23-18-19-24-42)54(61)48-35-22-36-49(41-48)60-58(46-31-14-6-15-32-46)56(44-27-10-4-11-28-44)55(43-25-8-3-9-26-43)57(45-29-12-5-13-30-45)59(60)47-33-16-7-17-34-47;1-38-31-36-46-55(59-56-47(57(46,2)3)30-19-37-58-56)48(38)44-32-34-45(35-33-44)54-52(42-26-15-7-16-27-42)50(40-22-11-5-12-23-40)49(39-20-9-4-10-21-39)51(41-24-13-6-14-25-41)53(54)43-28-17-8-18-29-43;1-56(2)46-31-18-30-45(54(46)58-55-47(56)32-19-37-57-55)38-33-35-44(36-34-38)53-51(42-26-14-6-15-27-42)49(40-22-10-4-11-23-40)48(39-20-8-3-9-21-39)50(41-24-12-5-13-25-41)52(53)43-28-16-7-17-29-43/h3-17,20-22,25-42H,18-19,23-24H2,1-2H3;4-37H,1-3H3;3-37H,1-2H3/i42D;;
InChIKeyBCEWMWMWDMAHLH-XYUZLCQUSA-N
MW2362.22 g/mol
LogP49.19
Rot. Bonds22

About 3-(1-deuteriocyclopentyl)-9,9-dimethyl-4-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thioxanthene;5,5-dimethyl-9-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thiochromeno[2,3-b]pyridine;5,5,8-trimethyl-9-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thiochromeno[2,3-b]pyridine

3-(1-deuteriocyclopentyl)-9,9-dimethyl-4-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thioxanthene;5,5-dimethyl-9-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thiochromeno[2,3-b]pyridine;5,5,8-trimethyl-9-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thiochromeno[2,3-b]pyridine (PubChem CID 157303707) has the molecular formula C175H134N2S3 and a molecular weight of 2362.22 g/mol. Its IUPAC name is 3-(1-deuteriocyclopentyl)-9,9-dimethyl-4-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thioxanthene;5,5-dimethyl-9-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thiochromeno[2,3-b]pyridine;5,5,8-trimethyl-9-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thiochromeno[2,3-b]pyridine.

Molecular Properties

Compound Name3-(1-deuteriocyclopentyl)-9,9-dimethyl-4-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thioxanthene;5,5-dimethyl-9-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thiochromeno[2,3-b]pyridine;5,5,8-trimethyl-9-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thiochromeno[2,3-b]pyridine
PubChem CID157303707
Molecular FormulaC175H134N2S3
Molecular Weight2362.22 g/mol
Exact Mass2359.98
IUPAC Name3-(1-deuteriocyclopentyl)-9,9-dimethyl-4-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thioxanthene;5,5-dimethyl-9-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thiochromeno[2,3-b]pyridine;5,5,8-trimethyl-9-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thiochromeno[2,3-b]pyridine
SMILESCC1(C)c2cccnc2Sc2c(-c3ccc(-c4c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4-c4ccccc4)cc3)cccc21.Cc1ccc2c(c1-c1ccc(-c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)cc1)Sc1ncccc1C2(C)C.[2H]C1(c2ccc3c(c2-c2cccc(-c4c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4-c4ccccc4)c2)Sc2ccccc2C3(C)C)CCCC1
InChIInChI=1S/C62H50S.C57H43NS.C56H41NS/c1-62(2)51-37-20-21-38-53(51)63-61-52(62)40-39-50(42-23-18-19-24-42)54(61)48-35-22-36-49(41-48)60-58(46-31-14-6-15-32-46)56(44-27-10-4-11-28-44)55(43-25-8-3-9-26-43)57(45-29-12-5-13-30-45)59(60)47-33-16-7-17-34-47;1-38-31-36-46-55(59-56-47(57(46,2)3)30-19-37-58-56)48(38)44-32-34-45(35-33-44)54-52(42-26-15-7-16-27-42)50(40-22-11-5-12-23-40)49(39-20-9-4-10-21-39)51(41-24-13-6-14-25-41)53(54)43-28-17-8-18-29-43;1-56(2)46-31-18-30-45(54(46)58-55-47(56)32-19-37-57-55)38-33-35-44(36-34-38)53-51(42-26-14-6-15-27-42)49(40-22-10-4-11-23-40)48(39-20-8-3-9-21-39)50(41-24-12-5-13-25-41)52(53)43-28-16-7-17-29-43/h3-17,20-22,25-42H,18-19,23-24H2,1-2H3;4-37H,1-3H3;3-37H,1-2H3/i42D;;
InChIKeyBCEWMWMWDMAHLH-XYUZLCQUSA-N
XLogP49.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds22
Heavy Atoms180
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002362.22
LogP ≤ 549.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(1-deuteriocyclopentyl)-9,9-dimethyl-4-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thioxanthene;5,5-dimethyl-9-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thiochromeno[2,3-b]pyridine;5,5,8-trimethyl-9-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thiochromeno[2,3-b]pyridine with MolForge

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Related Compounds

3-(1-deuteriocyclopentyl)-4-[3-(2,4,6-triphenylphenyl)phenyl]-9,9'-spirobi[thioxanthene];2-[2-methyl-5-(2,3,4,5-tetraphenylphenyl)phenyl]spiro[thiochromeno[2,3-d]pyrimidine-5,9'-thioxanthene];8-methyl-9-[4-(2,3,4,6-tetraphenylphenyl)phenyl]spiro[thiochromeno[2,3-d]pyrimidine-5,9'-thioxanthene];9-[4-(2,3,5,6-tetraphenylphenyl)phenyl]spiro[thiochromeno[2,3-b]pyridine-5,9'-thioxanthene];7-(trideuteriomethyl)-6-[4-(2,3,4-triphenylphenyl)phenyl]spiro[thiochromeno[2,3-b]pyrazine-10,9'-thioxanthene];7-(trideuteriomethyl)-6-[4-(2,4,6-triphenylphenyl)phenyl]spiro[thiochromeno[2,3-b]pyrazine-10,9'-thioxanthene]
CID 160699168
[3-[3,6-bis(1-deuteriocyclopentyl)-9,9-dimethylthioxanthen-4-yl]phenyl]-(9,9-dimethylthioxanthen-4-yl)-dimethylsilane;[4-tert-butyl-3-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)-methyl-phenylsilane;[4-tert-butyl-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane;[4-(1-deuteriocyclopentyl)-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane
CID 159277609
2-[3-(9,9-dimethylthioxanthen-4-yl)phenyl]-4-(4-phenylphenyl)-1,2-dihydroquinazoline
CID 166908729
4-(9,9-dimethylthioxanthen-4-yl)-N-[4-(9,9-dimethylthioxanthen-4-yl)phenyl]-N-(4-thianthren-1-ylphenyl)aniline
CID 118133987
2-[3-[3-(9,9-dimethylthioxanthen-3-yl)phenyl]phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 163905139
4-[3-(9,9-dimethylthioxanthen-4-yl)-5-(1,10-phenanthrolin-2-yl)phenyl]benzonitrile
CID 163503213
2-(9,9-dimethylthioxanthen-4-yl)-4-phenyl-6-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-1,3,5-triazine
CID 174266172
9-[4-(2,3,5,6-tetraphenylphenyl)phenyl]spiro[[1,4]benzothiasilino[2,3-b]pyridine-5,10'-benzo[b][1,4]benzothiasiline]
CID 140947667
2-[4'-[2-(5-methyl-2-phenyl-4-pyridinyl)cyclohexyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 167364239
4-cyclohexa-2,4-dien-1-yl-6-(9,9-dimethylthioxanthen-4-yl)-2-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]pyrimidine
CID 174266310
2-(9,9-dimethylthioxanthen-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 163972288
2,4-diphenyl-6-[3-(4-spiro[fluorene-9,9'-thioxanthene]-4'-ylphenyl)phenyl]-1,3,5-triazine
CID 146326981

Frequently Asked Questions

What is the IUPAC name of 3-(1-deuteriocyclopentyl)-9,9-dimethyl-4-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thioxanthene;5,5-dimethyl-9-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thiochromeno[2,3-b]pyridine;5,5,8-trimethyl-9-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thiochromeno[2,3-b]pyridine?
The IUPAC name of 3-(1-deuteriocyclopentyl)-9,9-dimethyl-4-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thioxanthene;5,5-dimethyl-9-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thiochromeno[2,3-b]pyridine;5,5,8-trimethyl-9-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thiochromeno[2,3-b]pyridine (CID 157303707) is 3-(1-deuteriocyclopentyl)-9,9-dimethyl-4-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thioxanthene;5,5-dimethyl-9-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thiochromeno[2,3-b]pyridine;5,5,8-trimethyl-9-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thiochromeno[2,3-b]pyridine.
What is the SMILES notation for 3-(1-deuteriocyclopentyl)-9,9-dimethyl-4-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thioxanthene;5,5-dimethyl-9-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thiochromeno[2,3-b]pyridine;5,5,8-trimethyl-9-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thiochromeno[2,3-b]pyridine?
The canonical SMILES for 3-(1-deuteriocyclopentyl)-9,9-dimethyl-4-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thioxanthene;5,5-dimethyl-9-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thiochromeno[2,3-b]pyridine;5,5,8-trimethyl-9-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thiochromeno[2,3-b]pyridine is CC1(C)c2cccnc2Sc2c(-c3ccc(-c4c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4-c4ccccc4)cc3)cccc21.Cc1ccc2c(c1-c1ccc(-c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)cc1)Sc1ncccc1C2(C)C.[2H]C1(c2ccc3c(c2-c2cccc(-c4c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4-c4ccccc4)c2)Sc2ccccc2C3(C)C)CCCC1.
What is the InChIKey of 3-(1-deuteriocyclopentyl)-9,9-dimethyl-4-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thioxanthene;5,5-dimethyl-9-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thiochromeno[2,3-b]pyridine;5,5,8-trimethyl-9-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thiochromeno[2,3-b]pyridine?
The InChIKey is BCEWMWMWDMAHLH-XYUZLCQUSA-N. The full InChI is InChI=1S/C62H50S.C57H43NS.C56H41NS/c1-62(2)51-37-20-21-38-53(51)63-61-52(62)40-39-50(42-23-18-19-24-42)54(61)48-35-22-36-49(41-48)60-58(46-31-14-6-15-32-46)56(44-27-10-4-11-28-44)55(43-25-8-3-9-26-43)57(45-29-12-5-13-30-45)59(60)47-33-16-7-17-34-47;1-38-31-36-46-55(59-56-47(57(46,2)3)30-19-37-58-56)48(38)44-32-34-45(35-33-44)54-52(42-26-15-7-16-27-42)50(40-22-11-5-12-23-40)49(39-20-9-4-10-21-39)51(41-24-13-6-14-25-41)53(54)43-28-17-8-18-29-43;1-56(2)46-31-18-30-45(54(46)58-55-47(56)32-19-37-57-55)38-33-35-44(36-34-38)53-51(42-26-14-6-15-27-42)49(40-22-10-4-11-23-40)48(39-20-8-3-9-21-39)50(41-24-12-5-13-25-41)52(53)43-28-16-7-17-29-43/h3-17,20-22,25-42H,18-19,23-24H2,1-2H3;4-37H,1-3H3;3-37H,1-2H3/i42D;;.
What are the key properties of 3-(1-deuteriocyclopentyl)-9,9-dimethyl-4-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thioxanthene;5,5-dimethyl-9-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thiochromeno[2,3-b]pyridine;5,5,8-trimethyl-9-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thiochromeno[2,3-b]pyridine?
3-(1-deuteriocyclopentyl)-9,9-dimethyl-4-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thioxanthene;5,5-dimethyl-9-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thiochromeno[2,3-b]pyridine;5,5,8-trimethyl-9-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thiochromeno[2,3-b]pyridine has a molecular weight of 2362.22 g/mol, XLogP of 49.19, 22 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-deuteriocyclopentyl)-9,9-dimethyl-4-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thioxanthene;5,5-dimethyl-9-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thiochromeno[2,3-b]pyridine;5,5,8-trimethyl-9-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]thiochromeno[2,3-b]pyridine is sourced from PubChem (CID 157303707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).