2-phenyl-6-(4-phenylphenyl)-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1'-ylphenyl)pyridine

C56H35NS — CID 134529350

IUPAC2-phenyl-6-(4-phenylphenyl)-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1'-ylphenyl)pyridine
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc(-c5cccc6c5C5(c7ccccc7-c7ccccc75)c5c-6sc6ccccc56)c4)cc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C56H35NS/c1-3-15-36(16-4-1)37-29-31-39(32-30-37)51-35-42(34-50(57-51)38-17-5-2-6-18-38)40-19-13-20-41(33-40)43-24-14-25-47-53(43)56(54-46-23-9-12-28-52(46)58-55(47)54)48-26-10-7-21-44(48)45-22-8-11-27-49(45)56/h1-35H
InChIKeyFBJLJVUWCBQYID-UHFFFAOYSA-N
MW753.97 g/mol
LogP14.97
Rot. Bonds5

About 2-phenyl-6-(4-phenylphenyl)-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1'-ylphenyl)pyridine

2-phenyl-6-(4-phenylphenyl)-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1'-ylphenyl)pyridine (PubChem CID 134529350) has the molecular formula C56H35NS and a molecular weight of 753.97 g/mol. Its IUPAC name is 2-phenyl-6-(4-phenylphenyl)-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1'-ylphenyl)pyridine.

Molecular Properties

Compound Name2-phenyl-6-(4-phenylphenyl)-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1'-ylphenyl)pyridine
PubChem CID134529350
Molecular FormulaC56H35NS
Molecular Weight753.97 g/mol
Exact Mass753.25
IUPAC Name2-phenyl-6-(4-phenylphenyl)-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1'-ylphenyl)pyridine
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc(-c5cccc6c5C5(c7ccccc7-c7ccccc75)c5c-6sc6ccccc56)c4)cc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C56H35NS/c1-3-15-36(16-4-1)37-29-31-39(32-30-37)51-35-42(34-50(57-51)38-17-5-2-6-18-38)40-19-13-20-41(33-40)43-24-14-25-47-53(43)56(54-46-23-9-12-28-52(46)58-55(47)54)48-26-10-7-21-44(48)45-22-8-11-27-49(45)56/h1-35H
InChIKeyFBJLJVUWCBQYID-UHFFFAOYSA-N
XLogP14.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.97
LogP ≤ 514.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[4-[4-[6-naphthalen-1-yl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl-1,3,5-triazine
CID 134533556
2-naphthalen-1-yl-6-phenyl-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-ylphenyl)pyridine;2-naphthalen-1-yl-6-phenyl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)pyridine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl-1,3,5-triazine
CID 159998892
2-phenyl-4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3-ylphenyl)pyrimidine
CID 134529406
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3-ylphenyl)-1,3,5-triazine
CID 134529357
2-naphthalen-2-yl-4-phenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylphenyl)-1,3,5-triazine;4-phenyl-2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-ylphenyl)pyrimidine
CID 162152564
2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylpyrimidine
CID 134529343
4-phenyl-2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3'-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylpyrimidine
CID 161452910
2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine
CID 134272055
2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,4-diphenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine
CID 161308623
2-naphthalen-2-yl-6-phenyl-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3-ylphenyl)pyridine;2-naphthalen-2-yl-6-phenyl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)pyridine;2-naphthalen-2-yl-4-phenyl-6-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylphenyl)pyrimidine
CID 162009362
2,6-diphenyl-4-[3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine
CID 134272050
4,6-diphenyl-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-ylpyrimidine;4,6-diphenyl-2-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)pyrimidine
CID 159201364

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-(4-phenylphenyl)-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1'-ylphenyl)pyridine?
The IUPAC name of 2-phenyl-6-(4-phenylphenyl)-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1'-ylphenyl)pyridine (CID 134529350) is 2-phenyl-6-(4-phenylphenyl)-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1'-ylphenyl)pyridine.
What is the SMILES notation for 2-phenyl-6-(4-phenylphenyl)-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1'-ylphenyl)pyridine?
The canonical SMILES for 2-phenyl-6-(4-phenylphenyl)-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1'-ylphenyl)pyridine is c1ccc(-c2ccc(-c3cc(-c4cccc(-c5cccc6c5C5(c7ccccc7-c7ccccc75)c5c-6sc6ccccc56)c4)cc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 2-phenyl-6-(4-phenylphenyl)-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1'-ylphenyl)pyridine?
The InChIKey is FBJLJVUWCBQYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NS/c1-3-15-36(16-4-1)37-29-31-39(32-30-37)51-35-42(34-50(57-51)38-17-5-2-6-18-38)40-19-13-20-41(33-40)43-24-14-25-47-53(43)56(54-46-23-9-12-28-52(46)58-55(47)54)48-26-10-7-21-44(48)45-22-8-11-27-49(45)56/h1-35H.
What are the key properties of 2-phenyl-6-(4-phenylphenyl)-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1'-ylphenyl)pyridine?
2-phenyl-6-(4-phenylphenyl)-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1'-ylphenyl)pyridine has a molecular weight of 753.97 g/mol, XLogP of 14.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-(4-phenylphenyl)-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1'-ylphenyl)pyridine is sourced from PubChem (CID 134529350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).