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

C63H33N3O2S3 — CID 165166709

IUPAC2,4-di(dibenzothiophen-3-yl)-6-[8-(4-dibenzothiophen-3-yldibenzofuran-1-yl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc2c(c1)oc1c(-c3ccc4c(c3)sc3ccccc34)ccc(-c3ccc4oc5cccc(-c6nc(-c7ccc8c(c7)sc7ccccc78)nc(-c7ccc8c(c7)sc7ccccc78)n6)c5c4c3)c12
InChIInChI=1S/C63H33N3O2S3/c1-5-15-49-46(13-1)59-38(27-28-39(60(59)68-49)35-20-24-43-40-10-2-6-17-52(40)69-55(43)31-35)34-23-29-50-48(30-34)58-47(14-9-16-51(58)67-50)63-65-61(36-21-25-44-41-11-3-7-18-53(41)70-56(44)32-36)64-62(66-63)37-22-26-45-42-12-4-8-19-54(42)71-57(45)33-37/h1-33H
InChIKeyUWUJOTFOMZNKJB-UHFFFAOYSA-N
MW960.18 g/mol
LogP19.11
Rot. Bonds5

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

2,4-di(dibenzothiophen-3-yl)-6-[8-(4-dibenzothiophen-3-yldibenzofuran-1-yl)dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 165166709) has the molecular formula C63H33N3O2S3 and a molecular weight of 960.18 g/mol. Its IUPAC name is 2,4-di(dibenzothiophen-3-yl)-6-[8-(4-dibenzothiophen-3-yldibenzofuran-1-yl)dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-di(dibenzothiophen-3-yl)-6-[8-(4-dibenzothiophen-3-yldibenzofuran-1-yl)dibenzofuran-1-yl]-1,3,5-triazine
PubChem CID165166709
Molecular FormulaC63H33N3O2S3
Molecular Weight960.18 g/mol
Exact Mass959.17
IUPAC Name2,4-di(dibenzothiophen-3-yl)-6-[8-(4-dibenzothiophen-3-yldibenzofuran-1-yl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc2c(c1)oc1c(-c3ccc4c(c3)sc3ccccc34)ccc(-c3ccc4oc5cccc(-c6nc(-c7ccc8c(c7)sc7ccccc78)nc(-c7ccc8c(c7)sc7ccccc78)n6)c5c4c3)c12
InChIInChI=1S/C63H33N3O2S3/c1-5-15-49-46(13-1)59-38(27-28-39(60(59)68-49)35-20-24-43-40-10-2-6-17-52(40)69-55(43)31-35)34-23-29-50-48(30-34)58-47(14-9-16-51(58)67-50)63-65-61(36-21-25-44-41-11-3-7-18-53(41)70-56(44)32-36)64-62(66-63)37-22-26-45-42-12-4-8-19-54(42)71-57(45)33-37/h1-33H
InChIKeyUWUJOTFOMZNKJB-UHFFFAOYSA-N
XLogP19.11
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500960.18
LogP ≤ 519.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155078013
2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166742649
2-(8-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
CID 166742090
2-[4-(4-dibenzothiophen-3-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 160600611
2-dibenzothiophen-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166743560
2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 155079372
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 138519310
2-(9-dibenzothiophen-2-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952247
2-dibenzothiophen-3-yl-4-[7-(8-phenyldibenzofuran-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741993
2-dibenzofuran-1-yl-4-(7-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(7-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-(7-dibenzofuran-4-yldibenzofuran-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine;2-(7-dibenzofuran-4-yldibenzofuran-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 159607952
2-dibenzothiophen-1-yl-4-phenyl-6-[3-[8-(2-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[4-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 161021591
2-dibenzothiophen-3-yl-4-[3-(9-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850189

Frequently Asked Questions

What is the IUPAC name of 2,4-di(dibenzothiophen-3-yl)-6-[8-(4-dibenzothiophen-3-yldibenzofuran-1-yl)dibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2,4-di(dibenzothiophen-3-yl)-6-[8-(4-dibenzothiophen-3-yldibenzofuran-1-yl)dibenzofuran-1-yl]-1,3,5-triazine (CID 165166709) is 2,4-di(dibenzothiophen-3-yl)-6-[8-(4-dibenzothiophen-3-yldibenzofuran-1-yl)dibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-di(dibenzothiophen-3-yl)-6-[8-(4-dibenzothiophen-3-yldibenzofuran-1-yl)dibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-di(dibenzothiophen-3-yl)-6-[8-(4-dibenzothiophen-3-yldibenzofuran-1-yl)dibenzofuran-1-yl]-1,3,5-triazine is c1ccc2c(c1)oc1c(-c3ccc4c(c3)sc3ccccc34)ccc(-c3ccc4oc5cccc(-c6nc(-c7ccc8c(c7)sc7ccccc78)nc(-c7ccc8c(c7)sc7ccccc78)n6)c5c4c3)c12.
What is the InChIKey of 2,4-di(dibenzothiophen-3-yl)-6-[8-(4-dibenzothiophen-3-yldibenzofuran-1-yl)dibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is UWUJOTFOMZNKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H33N3O2S3/c1-5-15-49-46(13-1)59-38(27-28-39(60(59)68-49)35-20-24-43-40-10-2-6-17-52(40)69-55(43)31-35)34-23-29-50-48(30-34)58-47(14-9-16-51(58)67-50)63-65-61(36-21-25-44-41-11-3-7-18-53(41)70-56(44)32-36)64-62(66-63)37-22-26-45-42-12-4-8-19-54(42)71-57(45)33-37/h1-33H.
What are the key properties of 2,4-di(dibenzothiophen-3-yl)-6-[8-(4-dibenzothiophen-3-yldibenzofuran-1-yl)dibenzofuran-1-yl]-1,3,5-triazine?
2,4-di(dibenzothiophen-3-yl)-6-[8-(4-dibenzothiophen-3-yldibenzofuran-1-yl)dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 960.18 g/mol, XLogP of 19.11, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(dibenzothiophen-3-yl)-6-[8-(4-dibenzothiophen-3-yldibenzofuran-1-yl)dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 165166709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).