2,6-diphenyl-4-[3-(2-phenyl-4-spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]pyridine

C60H41NS — CID 174328025

IUPAC2,6-diphenyl-4-[3-(2-phenyl-4-spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]pyridine
SMILESC1=CC2=C(CC1)C1(c3ccccc3Sc3ccc(-c4ccc(-c5cccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)c5)c(-c5ccccc5)c4)cc31)c1ccccc12
InChIInChI=1S/C60H41NS/c1-4-17-40(18-5-1)51-36-44(31-33-48(51)46-24-16-23-43(35-46)47-38-56(41-19-6-2-7-20-41)61-57(39-47)42-21-8-3-9-22-42)45-32-34-59-55(37-45)60(54-29-14-15-30-58(54)62-59)52-27-12-10-25-49(52)50-26-11-13-28-53(50)60/h1-12,14-27,29-39H,13,28H2
InChIKeyOLEFXZXTKGRURS-UHFFFAOYSA-N
MW808.06 g/mol
LogP16.00
Rot. Bonds6

About 2,6-diphenyl-4-[3-(2-phenyl-4-spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]pyridine

2,6-diphenyl-4-[3-(2-phenyl-4-spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]pyridine (PubChem CID 174328025) has the molecular formula C60H41NS and a molecular weight of 808.06 g/mol. Its IUPAC name is 2,6-diphenyl-4-[3-(2-phenyl-4-spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]pyridine.

Molecular Properties

Compound Name2,6-diphenyl-4-[3-(2-phenyl-4-spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]pyridine
PubChem CID174328025
Molecular FormulaC60H41NS
Molecular Weight808.06 g/mol
Exact Mass807.30
IUPAC Name2,6-diphenyl-4-[3-(2-phenyl-4-spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]pyridine
SMILESC1=CC2=C(CC1)C1(c3ccccc3Sc3ccc(-c4ccc(-c5cccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)c5)c(-c5ccccc5)c4)cc31)c1ccccc12
InChIInChI=1S/C60H41NS/c1-4-17-40(18-5-1)51-36-44(31-33-48(51)46-24-16-23-43(35-46)47-38-56(41-19-6-2-7-20-41)61-57(39-47)42-21-8-3-9-22-42)45-32-34-59-55(37-45)60(54-29-14-15-30-58(54)62-59)52-27-12-10-25-49(52)50-26-11-13-28-53(50)60/h1-12,14-27,29-39H,13,28H2
InChIKeyOLEFXZXTKGRURS-UHFFFAOYSA-N
XLogP16.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.06
LogP ≤ 516.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]pyrimidine
CID 166738191
2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)pyrimidine
CID 166737946
2,4-diphenyl-6-(3-spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137389233
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
7-phenyl-9-[3-(3-phenylphenyl)phenyl]-9-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-1,2-dihydrofluorene
CID 145189166
4-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylphenyl]-2,6-diphenylpyridine
CID 174327262
2,6-diphenyl-4-[3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine
CID 134272050
2-phenyl-3-(7'-pyridin-4-ylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)quinoxaline
CID 163579355
2,6-diphenyl-4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine
CID 158428092
2-phenyl-4-(4-phenylphenyl)-6-(2-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)pyrimidine
CID 166737907
2-[3-(9,9-diphenylthioxanthen-3-yl)phenyl]-4,6-diphenylpyridine
CID 146398143
CID 145229229
CID 145229229

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-4-[3-(2-phenyl-4-spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]pyridine?
The IUPAC name of 2,6-diphenyl-4-[3-(2-phenyl-4-spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]pyridine (CID 174328025) is 2,6-diphenyl-4-[3-(2-phenyl-4-spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]pyridine.
What is the SMILES notation for 2,6-diphenyl-4-[3-(2-phenyl-4-spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]pyridine?
The canonical SMILES for 2,6-diphenyl-4-[3-(2-phenyl-4-spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]pyridine is C1=CC2=C(CC1)C1(c3ccccc3Sc3ccc(-c4ccc(-c5cccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)c5)c(-c5ccccc5)c4)cc31)c1ccccc12.
What is the InChIKey of 2,6-diphenyl-4-[3-(2-phenyl-4-spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]pyridine?
The InChIKey is OLEFXZXTKGRURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41NS/c1-4-17-40(18-5-1)51-36-44(31-33-48(51)46-24-16-23-43(35-46)47-38-56(41-19-6-2-7-20-41)61-57(39-47)42-21-8-3-9-22-42)45-32-34-59-55(37-45)60(54-29-14-15-30-58(54)62-59)52-27-12-10-25-49(52)50-26-11-13-28-53(50)60/h1-12,14-27,29-39H,13,28H2.
What are the key properties of 2,6-diphenyl-4-[3-(2-phenyl-4-spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]pyridine?
2,6-diphenyl-4-[3-(2-phenyl-4-spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]pyridine has a molecular weight of 808.06 g/mol, XLogP of 16.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-4-[3-(2-phenyl-4-spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]pyridine is sourced from PubChem (CID 174328025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).