2-dibenzothiophen-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

C84H59BBr2N6O2S3 — CID 162118149

IUPAC2-dibenzothiophen-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESBrc1cc(Br)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.CC1(C)OB(c2cccc3c2sc2ccccc23)OC1(C)C.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)n2)cc1
InChIInChI=1S/C45H27N3S2.C21H13Br2N3.C18H19BO2S/c1-3-13-28(14-4-1)43-46-44(29-15-5-2-6-16-29)48-45(47-43)32-26-30(33-19-11-21-37-35-17-7-9-23-39(35)49-41(33)37)25-31(27-32)34-20-12-22-38-36-18-8-10-24-40(36)50-42(34)38;22-17-11-16(12-18(23)13-17)21-25-19(14-7-3-1-4-8-14)24-20(26-21)15-9-5-2-6-10-15;1-17(2)18(3,4)21-19(20-17)14-10-7-9-13-12-8-5-6-11-15(12)22-16(13)14/h1-27H;1-13H;5-11H,1-4H3
InChIKeyZHAVVJMUDSQNLC-UHFFFAOYSA-N
MW1451.26 g/mol
LogP23.69
Rot. Bonds9

About 2-dibenzothiophen-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

2-dibenzothiophen-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 162118149) has the molecular formula C84H59BBr2N6O2S3 and a molecular weight of 1451.26 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID162118149
Molecular FormulaC84H59BBr2N6O2S3
Molecular Weight1451.26 g/mol
Exact Mass1448.23
IUPAC Name2-dibenzothiophen-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESBrc1cc(Br)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.CC1(C)OB(c2cccc3c2sc2ccccc23)OC1(C)C.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)n2)cc1
InChIInChI=1S/C45H27N3S2.C21H13Br2N3.C18H19BO2S/c1-3-13-28(14-4-1)43-46-44(29-15-5-2-6-16-29)48-45(47-43)32-26-30(33-19-11-21-37-35-17-7-9-23-39(35)49-41(33)37)25-31(27-32)34-20-12-22-38-36-18-8-10-24-40(36)50-42(34)38;22-17-11-16(12-18(23)13-17)21-25-19(14-7-3-1-4-8-14)24-20(26-21)15-9-5-2-6-10-15;1-17(2)18(3,4)21-19(20-17)14-10-7-9-13-12-8-5-6-11-15(12)22-16(13)14/h1-27H;1-13H;5-11H,1-4H3
InChIKeyZHAVVJMUDSQNLC-UHFFFAOYSA-N
XLogP23.69
TPSA95.80 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001451.26
LogP ≤ 523.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-dibenzothiophen-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzothiophen-4-yl-4-phenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 149165820
2,4-diphenyl-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzothiophen-2-yl]-1,3,5-triazine
CID 153231491
2-phenyl-4-(3-phenylphenyl)-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzothiophen-2-yl]-1,3,5-triazine
CID 160994394
2-dibenzofuran-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3,5-di(dibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159630177
2,4-diphenyl-6-[3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 158014089
2-(3-bromophenyl)triphenylene;4-[3-(4-phenylphenyl)phenyl]-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;4,4,5,5-tetramethyl-2-[6-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]-1,3,2-dioxaborolane
CID 159299829
2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-(2,8-diphenyldibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(2,8-diphenyldibenzothiophen-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 159841158
4-(3-bromo-5-phenylphenyl)dibenzothiophene
CID 142380549
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425247
2-(3-dibenzothiophen-2-yl-5-dibenzothiophen-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402536
2-(4-dibenzothiophen-4-ylphenyl)-4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850283
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425260

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 162118149) is 2-dibenzothiophen-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is Brc1cc(Br)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.CC1(C)OB(c2cccc3c2sc2ccccc23)OC1(C)C.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)n2)cc1.
What is the InChIKey of 2-dibenzothiophen-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is ZHAVVJMUDSQNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3S2.C21H13Br2N3.C18H19BO2S/c1-3-13-28(14-4-1)43-46-44(29-15-5-2-6-16-29)48-45(47-43)32-26-30(33-19-11-21-37-35-17-7-9-23-39(35)49-41(33)37)25-31(27-32)34-20-12-22-38-36-18-8-10-24-40(36)50-42(34)38;22-17-11-16(12-18(23)13-17)21-25-19(14-7-3-1-4-8-14)24-20(26-21)15-9-5-2-6-10-15;1-17(2)18(3,4)21-19(20-17)14-10-7-9-13-12-8-5-6-11-15(12)22-16(13)14/h1-27H;1-13H;5-11H,1-4H3.
What are the key properties of 2-dibenzothiophen-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-dibenzothiophen-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1451.26 g/mol, XLogP of 23.69, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 162118149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).