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

C51H29N3O2S — CID 159898357

IUPAC2-[9-(6-dibenzothiophen-4-yldibenzofuran-4-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5cccc(-c6cccc7c6oc6c(-c8cccc9c8sc8ccccc89)cccc67)c5c4c3)n2)cc1
InChIInChI=1S/C51H29N3O2S/c1-3-13-30(14-4-1)49-52-50(31-15-5-2-6-16-31)54-51(53-49)32-27-28-42-41(29-32)45-34(18-12-25-43(45)55-42)35-19-9-20-36-37-21-10-22-38(47(37)56-46(35)36)40-24-11-23-39-33-17-7-8-26-44(33)57-48(39)40/h1-29H
InChIKeyFSTYYJIUXUBFFX-UHFFFAOYSA-N
MW747.88 g/mol
LogP14.37
Rot. Bonds5

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

2-[9-(6-dibenzothiophen-4-yldibenzofuran-4-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 159898357) has the molecular formula C51H29N3O2S and a molecular weight of 747.88 g/mol. Its IUPAC name is 2-[9-(6-dibenzothiophen-4-yldibenzofuran-4-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[9-(6-dibenzothiophen-4-yldibenzofuran-4-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID159898357
Molecular FormulaC51H29N3O2S
Molecular Weight747.88 g/mol
Exact Mass747.20
IUPAC Name2-[9-(6-dibenzothiophen-4-yldibenzofuran-4-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5cccc(-c6cccc7c6oc6c(-c8cccc9c8sc8ccccc89)cccc67)c5c4c3)n2)cc1
InChIInChI=1S/C51H29N3O2S/c1-3-13-30(14-4-1)49-52-50(31-15-5-2-6-16-31)54-51(53-49)32-27-28-42-41(29-32)45-34(18-12-25-43(45)55-42)35-19-9-20-36-37-21-10-22-38(47(37)56-46(35)36)40-24-11-23-39-33-17-7-8-26-44(33)57-48(39)40/h1-29H
InChIKeyFSTYYJIUXUBFFX-UHFFFAOYSA-N
XLogP14.37
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.88
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-dibenzothiophen-4-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166952877
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[2-(8-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 140946239
2-dibenzothiophen-4-yl-4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 148788297
2-(9-dibenzothiophen-4-yldibenzofuran-2-yl)-4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 168769771
2-dibenzofuran-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 147864491
2-dibenzofuran-4-yl-4-(9-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166952530
2-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 137496730
2-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 118507834
2-(6-dibenzofuran-1-yldibenzothiophen-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 155377443
2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzothiophen-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 159808130
2-dibenzofuran-3-yl-4-(9-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166952304
2-[9-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 176773463

Frequently Asked Questions

What is the IUPAC name of 2-[9-(6-dibenzothiophen-4-yldibenzofuran-4-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[9-(6-dibenzothiophen-4-yldibenzofuran-4-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine (CID 159898357) is 2-[9-(6-dibenzothiophen-4-yldibenzofuran-4-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[9-(6-dibenzothiophen-4-yldibenzofuran-4-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[9-(6-dibenzothiophen-4-yldibenzofuran-4-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5cccc(-c6cccc7c6oc6c(-c8cccc9c8sc8ccccc89)cccc67)c5c4c3)n2)cc1.
What is the InChIKey of 2-[9-(6-dibenzothiophen-4-yldibenzofuran-4-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is FSTYYJIUXUBFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N3O2S/c1-3-13-30(14-4-1)49-52-50(31-15-5-2-6-16-31)54-51(53-49)32-27-28-42-41(29-32)45-34(18-12-25-43(45)55-42)35-19-9-20-36-37-21-10-22-38(47(37)56-46(35)36)40-24-11-23-39-33-17-7-8-26-44(33)57-48(39)40/h1-29H.
What are the key properties of 2-[9-(6-dibenzothiophen-4-yldibenzofuran-4-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine?
2-[9-(6-dibenzothiophen-4-yldibenzofuran-4-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 747.88 g/mol, XLogP of 14.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(6-dibenzothiophen-4-yldibenzofuran-4-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 159898357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).