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

C54H33N3OS2 — CID 146964230

IUPAC2-dibenzothiophen-1-yl-4-dibenzothiophen-2-yl-6-[8-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4oc5cccc(-c6nc(-c7ccc8sc9ccccc9c8c7)nc(-c7cccc8sc9ccccc9c78)n6)c5c4c3)cccc21
InChIInChI=1S/C54H33N3OS2/c1-54(2)40-18-6-3-13-34(40)48-32(15-9-19-41(48)54)30-24-26-42-39(28-30)49-36(16-10-20-43(49)58-42)52-55-51(31-25-27-46-38(29-31)33-12-4-7-21-44(33)59-46)56-53(57-52)37-17-11-23-47-50(37)35-14-5-8-22-45(35)60-47/h3-29H,1-2H3
InChIKeyALEJSSHEAGIJND-UHFFFAOYSA-N
MW804.01 g/mol
LogP15.48
Rot. Bonds4

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

2-dibenzothiophen-1-yl-4-dibenzothiophen-2-yl-6-[8-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 146964230) has the molecular formula C54H33N3OS2 and a molecular weight of 804.01 g/mol. Its IUPAC name is 2-dibenzothiophen-1-yl-4-dibenzothiophen-2-yl-6-[8-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-1-yl-4-dibenzothiophen-2-yl-6-[8-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]-1,3,5-triazine
PubChem CID146964230
Molecular FormulaC54H33N3OS2
Molecular Weight804.01 g/mol
Exact Mass803.21
IUPAC Name2-dibenzothiophen-1-yl-4-dibenzothiophen-2-yl-6-[8-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4oc5cccc(-c6nc(-c7ccc8sc9ccccc9c8c7)nc(-c7cccc8sc9ccccc9c78)n6)c5c4c3)cccc21
InChIInChI=1S/C54H33N3OS2/c1-54(2)40-18-6-3-13-34(40)48-32(15-9-19-41(48)54)30-24-26-42-39(28-30)49-36(16-10-20-43(49)58-42)52-55-51(31-25-27-46-38(29-31)33-12-4-7-21-44(33)59-46)56-53(57-52)37-17-11-23-47-50(37)35-14-5-8-22-45(35)60-47/h3-29H,1-2H3
InChIKeyALEJSSHEAGIJND-UHFFFAOYSA-N
XLogP15.48
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.01
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-dibenzothiophen-2-yl-4-[8-[3-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166002845
2-dibenzofuran-1-yl-4-dibenzothiophen-2-yl-6-[8-[3-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002305
2-dibenzofuran-1-yl-4-dibenzothiophen-2-yl-6-[8-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166003181
2-dibenzofuran-2-yl-4-dibenzothiophen-1-yl-6-[8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 156734870
2-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-4-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170681114
2-dibenzothiophen-1-yl-4-[8-[4-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 153369475
2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002602
2,4-di(dibenzothiophen-1-yl)-6-[8-[3-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002362
2-dibenzothiophen-2-yl-4-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 166003007
2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-phenyl-6-[8-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 140946763
2-dibenzofuran-1-yl-4-[8-[4-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166003049
2-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 166565485

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-1-yl-4-dibenzothiophen-2-yl-6-[8-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-1-yl-4-dibenzothiophen-2-yl-6-[8-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]-1,3,5-triazine (CID 146964230) is 2-dibenzothiophen-1-yl-4-dibenzothiophen-2-yl-6-[8-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-1-yl-4-dibenzothiophen-2-yl-6-[8-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-1-yl-4-dibenzothiophen-2-yl-6-[8-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]-1,3,5-triazine is CC1(C)c2ccccc2-c2c(-c3ccc4oc5cccc(-c6nc(-c7ccc8sc9ccccc9c8c7)nc(-c7cccc8sc9ccccc9c78)n6)c5c4c3)cccc21.
What is the InChIKey of 2-dibenzothiophen-1-yl-4-dibenzothiophen-2-yl-6-[8-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is ALEJSSHEAGIJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3OS2/c1-54(2)40-18-6-3-13-34(40)48-32(15-9-19-41(48)54)30-24-26-42-39(28-30)49-36(16-10-20-43(49)58-42)52-55-51(31-25-27-46-38(29-31)33-12-4-7-21-44(33)59-46)56-53(57-52)37-17-11-23-47-50(37)35-14-5-8-22-45(35)60-47/h3-29H,1-2H3.
What are the key properties of 2-dibenzothiophen-1-yl-4-dibenzothiophen-2-yl-6-[8-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]-1,3,5-triazine?
2-dibenzothiophen-1-yl-4-dibenzothiophen-2-yl-6-[8-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 804.01 g/mol, XLogP of 15.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-1-yl-4-dibenzothiophen-2-yl-6-[8-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 146964230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).