2-[8-[9-(9H-fluoren-9-yl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine

C52H31N3OS — CID 169010868

IUPAC2-[8-[9-(9H-fluoren-9-yl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(-c5ccc6sc7cccc(C8c9ccccc9-c9ccccc98)c7c6c5)cc34)n2)cc1
InChIInChI=1S/C52H31N3OS/c1-3-12-31(13-4-1)50-53-51(32-14-5-2-6-15-32)55-52(54-50)35-22-25-38-42-28-33(23-26-44(42)56-45(38)30-35)34-24-27-46-43(29-34)49-41(20-11-21-47(49)57-46)48-39-18-9-7-16-36(39)37-17-8-10-19-40(37)48/h1-30,48H
InChIKeyPSSJQYQRZDEQRJ-UHFFFAOYSA-N
MW745.91 g/mol
LogP13.97
Rot. Bonds5

About 2-[8-[9-(9H-fluoren-9-yl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine

2-[8-[9-(9H-fluoren-9-yl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 169010868) has the molecular formula C52H31N3OS and a molecular weight of 745.91 g/mol. Its IUPAC name is 2-[8-[9-(9H-fluoren-9-yl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[8-[9-(9H-fluoren-9-yl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID169010868
Molecular FormulaC52H31N3OS
Molecular Weight745.91 g/mol
Exact Mass745.22
IUPAC Name2-[8-[9-(9H-fluoren-9-yl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(-c5ccc6sc7cccc(C8c9ccccc9-c9ccccc98)c7c6c5)cc34)n2)cc1
InChIInChI=1S/C52H31N3OS/c1-3-12-31(13-4-1)50-53-51(32-14-5-2-6-15-32)55-52(54-50)35-22-25-38-42-28-33(23-26-44(42)56-45(38)30-35)34-24-27-46-43(29-34)49-41(20-11-21-47(49)57-46)48-39-18-9-7-16-36(39)37-17-8-10-19-40(37)48/h1-30,48H
InChIKeyPSSJQYQRZDEQRJ-UHFFFAOYSA-N
XLogP13.97
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.91
LogP ≤ 513.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-4-[7-[7-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine
CID 155471007
2-(8-dibenzofuran-3-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 169059388
2-dibenzofuran-1-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 162780117
2-[8-(2-dibenzothiophen-2-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170191928
2-dibenzothiophen-2-yl-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 171597424
2,4-diphenyl-6-[8-(9-phenyl-9H-fluoren-2-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 171597120
2-[8-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 171597450
2-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 166009417
2-[7-(2-dibenzothiophen-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 170192387
2-phenyl-4-[8-(3-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170378609
2-naphtho[1,2-b][1]benzofuran-8-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 170305304
2-(9-dibenzofuran-3-yldibenzofuran-1-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 167007548

Frequently Asked Questions

What is the IUPAC name of 2-[8-[9-(9H-fluoren-9-yl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[8-[9-(9H-fluoren-9-yl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine (CID 169010868) is 2-[8-[9-(9H-fluoren-9-yl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[8-[9-(9H-fluoren-9-yl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[8-[9-(9H-fluoren-9-yl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(-c5ccc6sc7cccc(C8c9ccccc9-c9ccccc98)c7c6c5)cc34)n2)cc1.
What is the InChIKey of 2-[8-[9-(9H-fluoren-9-yl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is PSSJQYQRZDEQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N3OS/c1-3-12-31(13-4-1)50-53-51(32-14-5-2-6-15-32)55-52(54-50)35-22-25-38-42-28-33(23-26-44(42)56-45(38)30-35)34-24-27-46-43(29-34)49-41(20-11-21-47(49)57-46)48-39-18-9-7-16-36(39)37-17-8-10-19-40(37)48/h1-30,48H.
What are the key properties of 2-[8-[9-(9H-fluoren-9-yl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine?
2-[8-[9-(9H-fluoren-9-yl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 745.91 g/mol, XLogP of 13.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[9-(9H-fluoren-9-yl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 169010868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).