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

C84H59BBr2N6O5 — CID 159630177

IUPAC2-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
SMILESBrc1cc(Br)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.CC1(C)OB(c2cccc3oc4ccccc4c23)OC1(C)C.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5oc6ccccc6c45)cc(-c4cccc5oc6ccccc6c45)c3)n2)cc1
InChIInChI=1S/C45H27N3O2.C21H13Br2N3.C18H19BO3/c1-3-13-28(14-4-1)43-46-44(29-15-5-2-6-16-29)48-45(47-43)32-26-30(33-19-11-23-39-41(33)35-17-7-9-21-37(35)49-39)25-31(27-32)34-20-12-24-40-42(34)36-18-8-10-22-38(36)50-40;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)22-19(21-17)13-9-7-11-15-16(13)12-8-5-6-10-14(12)20-15/h1-27H;1-13H;5-11H,1-4H3
InChIKeyMPABOIHJMUIXSY-UHFFFAOYSA-N
MW1403.05 g/mol
LogP22.29
Rot. Bonds9

About 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

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 (PubChem CID 159630177) has the molecular formula C84H59BBr2N6O5 and a molecular weight of 1403.05 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID159630177
Molecular FormulaC84H59BBr2N6O5
Molecular Weight1403.05 g/mol
Exact Mass1400.30
IUPAC Name2-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
SMILESBrc1cc(Br)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.CC1(C)OB(c2cccc3oc4ccccc4c23)OC1(C)C.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5oc6ccccc6c45)cc(-c4cccc5oc6ccccc6c45)c3)n2)cc1
InChIInChI=1S/C45H27N3O2.C21H13Br2N3.C18H19BO3/c1-3-13-28(14-4-1)43-46-44(29-15-5-2-6-16-29)48-45(47-43)32-26-30(33-19-11-23-39-41(33)35-17-7-9-21-37(35)49-39)25-31(27-32)34-20-12-24-40-42(34)36-18-8-10-22-38(36)50-40;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)22-19(21-17)13-9-7-11-15-16(13)12-8-5-6-10-14(12)20-15/h1-27H;1-13H;5-11H,1-4H3
InChIKeyMPABOIHJMUIXSY-UHFFFAOYSA-N
XLogP22.29
TPSA135.22 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001403.05
LogP ≤ 522.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-[3-dibenzofuran-1-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139442533
2-(8-bromodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 157145103
1-(3-bromo-5-dibenzofuran-1-ylphenyl)dibenzofuran
CID 147609065
2-[3,5-di(dibenzofuran-1-yl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 164942695
2-(3-bromo-5-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 142752625
2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]-1,3,5-triazine
CID 153289648
2,4-bis(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139304436
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425244
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 139303458
4-bromodibenzofuran;2-(3-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;methane;iodide
CID 159504948
4,4,5,5-tetramethyl-2-(1-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,2-dioxaborolane
CID 176853425
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1cc(Br)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.CC1(C)OB(c2cccc3oc4ccccc4c23)OC1(C)C.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5oc6ccccc6c45)cc(-c4cccc5oc6ccccc6c45)c3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is MPABOIHJMUIXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O2.C21H13Br2N3.C18H19BO3/c1-3-13-28(14-4-1)43-46-44(29-15-5-2-6-16-29)48-45(47-43)32-26-30(33-19-11-23-39-41(33)35-17-7-9-21-37(35)49-39)25-31(27-32)34-20-12-24-40-42(34)36-18-8-10-22-38(36)50-40;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)22-19(21-17)13-9-7-11-15-16(13)12-8-5-6-10-14(12)20-15/h1-27H;1-13H;5-11H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 1403.05 g/mol, XLogP of 22.29, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159630177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).