2-[8-[2-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine

C58H37N3S — CID 166002378

IUPAC2-[8-[2-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5ccc(-c6ccccc6-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)cc5c34)n2)cc1
InChIInChI=1S/C58H37N3S/c1-5-18-38(19-6-1)55-59-56(39-20-7-2-8-21-39)61-57(60-55)48-29-17-31-53-54(48)49-36-40(33-35-52(49)62-53)44-26-13-14-27-45(44)41-32-34-47-46-28-15-16-30-50(46)58(51(47)37-41,42-22-9-3-10-23-42)43-24-11-4-12-25-43/h1-37H
InChIKeyLJQXEBUZQZFGFJ-UHFFFAOYSA-N
MW808.02 g/mol
LogP14.94
Rot. Bonds7

About 2-[8-[2-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine

2-[8-[2-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 166002378) has the molecular formula C58H37N3S and a molecular weight of 808.02 g/mol. Its IUPAC name is 2-[8-[2-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[8-[2-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID166002378
Molecular FormulaC58H37N3S
Molecular Weight808.02 g/mol
Exact Mass807.27
IUPAC Name2-[8-[2-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5ccc(-c6ccccc6-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)cc5c34)n2)cc1
InChIInChI=1S/C58H37N3S/c1-5-18-38(19-6-1)55-59-56(39-20-7-2-8-21-39)61-57(60-55)48-29-17-31-53-54(48)49-36-40(33-35-52(49)62-53)44-26-13-14-27-45(44)41-32-34-47-46-28-15-16-30-50(46)58(51(47)37-41,42-22-9-3-10-23-42)43-24-11-4-12-25-43/h1-37H
InChIKeyLJQXEBUZQZFGFJ-UHFFFAOYSA-N
XLogP14.94
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.02
LogP ≤ 514.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[8-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 153368858
2-[8-[2-(9,9-diphenylfluoren-1-yl)phenyl]dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166002321
2,4-diphenyl-6-[8-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 118507970
2-(8-phenyldibenzothiophen-1-yl)-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 174361298
2-(7,7-diphenylfluoreno[2,3-b][1]benzothiol-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163680358
2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 162487458
4-[3-(2-dibenzothiophen-2-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171601971
2,4-diphenyl-6-[8-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 153369473
4-(2-dibenzothiophen-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171603972
4-[2-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171602842
2-naphthalen-1-yl-4-(8-phenyldibenzothiophen-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 174361294
2,4-diphenyl-6-[8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 156734871

Frequently Asked Questions

What is the IUPAC name of 2-[8-[2-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[8-[2-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine (CID 166002378) is 2-[8-[2-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[8-[2-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[8-[2-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5ccc(-c6ccccc6-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)cc5c34)n2)cc1.
What is the InChIKey of 2-[8-[2-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is LJQXEBUZQZFGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3S/c1-5-18-38(19-6-1)55-59-56(39-20-7-2-8-21-39)61-57(60-55)48-29-17-31-53-54(48)49-36-40(33-35-52(49)62-53)44-26-13-14-27-45(44)41-32-34-47-46-28-15-16-30-50(46)58(51(47)37-41,42-22-9-3-10-23-42)43-24-11-4-12-25-43/h1-37H.
What are the key properties of 2-[8-[2-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine?
2-[8-[2-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 808.02 g/mol, XLogP of 14.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[2-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 166002378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).