3,7-dibromodibenzofuran;3,7-dibromodibenzothiophene;bis(2,8-dibromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene);2-[4-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,5-dimethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[2,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[2-methyl-4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane

C164H188B8Br8O17S — CID 159671247

About 3,7-dibromodibenzofuran;3,7-dibromodibenzothiophene;bis(2,8-dibromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene);2-[4-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,5-dimethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[2,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[2-methyl-4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane

3,7-dibromodibenzofuran;3,7-dibromodibenzothiophene;bis(2,8-dibromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene);2-[4-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,5-dimethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[2,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[2-methyl-4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane (PubChem CID 159671247) has the molecular formula C164H188B8Br8O17S and a molecular weight of 3189.09 g/mol. Its IUPAC name is 3,7-dibromodibenzofuran;3,7-dibromodibenzothiophene;bis(2,8-dibromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene);2-[4-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,5-dimethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[2,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[2-methyl-4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 3,7-dibromodibenzofuran;3,7-dibromodibenzothiophene;bis(2,8-dibromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene);2-[4-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,5-dimethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[2,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[2-methyl-4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
• PubChem CID: 159671247
• Molecular Formula: C164H188B8Br8O17S
• Molecular Weight: 3189.09 g/mol
• Exact Mass: 3180.78
• IUPAC Name: 3,7-dibromodibenzofuran;3,7-dibromodibenzothiophene;bis(2,8-dibromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene);2-[4-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,5-dimethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[2,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[2-methyl-4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
• SMILES: Brc1ccc2c(c1)oc1cc(Br)ccc12.Brc1ccc2c(c1)sc1cc(Br)ccc12.CC1(C)OB(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)OC1(C)C.CC1(C)c2cc(Br)ccc2-c2cc3c(cc21)-c1ccc(Br)cc1C3(C)C.CC1(C)c2cc(Br)ccc2-c2cc3c(cc21)-c1ccc(Br)cc1C3(C)C.Cc1cc(-c2ccc(B3OC(C)(C)C(C)(C)O3)c(C)c2)ccc1B1OC(C)(C)C(C)(C)O1.Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C)cc1B1OC(C)(C)C(C)(C)O1.Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C)c1-c1c(C)cc(B2OC(C)(C)C(C)(C)O2)cc1C
• InChI: InChI=1S/C28H40B2O4.C26H36B2O4.2C24H20Br2.C20H32B2O4.C18H28B2O4.C12H6Br2O.C12H6Br2S/c1-17-13-21(29-31-25(5,6)26(7,8)32-29)14-18(2)23(17)24-19(3)15-22(16-20(24)4)30-33-27(9,10)28(11,12)34-30;1-17-15-19(11-13-21(17)27-29-23(3,4)24(5,6)30-27)20-12-14-22(18(2)16-20)28-31-25(7,8)26(9,10)32-28;2*1-23(2)19-9-13(25)5-7-15(19)17-12-22-18(11-21(17)23)16-8-6-14(26)10-20(16)24(22,3)4;1-13-11-16(22-25-19(7,8)20(9,10)26-22)14(2)12-15(13)21-23-17(3,4)18(5,6)24-21;1-15(2)16(3,4)22-19(21-15)13-9-11-14(12-10-13)20-23-17(5,6)18(7,8)24-20;2*13-7-1-3-9-10-4-2-8(14)6-12(10)15-11(9)5-7/h13-16H,1-12H3;11-16H,1-10H3;2*5-12H,1-4H3;11-12H,1-10H3;9-12H,1-8H3;2*1-6H
• InChIKey: MUAHGSILIXIPCF-UHFFFAOYSA-N
• XLogP: 41.28
• TPSA: 160.82 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3189.09
LogP ≤ 5	41.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,7-dibromodibenzofuran;3,7-dibromodibenzothiophene;bis(2,8-dibromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene);2-[4-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,5-dimethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[2,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[2-methyl-4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane?

The IUPAC name of 3,7-dibromodibenzofuran;3,7-dibromodibenzothiophene;bis(2,8-dibromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene);2-[4-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,5-dimethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[2,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[2-methyl-4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane (CID 159671247) is 3,7-dibromodibenzofuran;3,7-dibromodibenzothiophene;bis(2,8-dibromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene);2-[4-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,5-dimethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[2,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[2-methyl-4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane.

What is the SMILES notation for 3,7-dibromodibenzofuran;3,7-dibromodibenzothiophene;bis(2,8-dibromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene);2-[4-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,5-dimethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[2,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[2-methyl-4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane?

The canonical SMILES for 3,7-dibromodibenzofuran;3,7-dibromodibenzothiophene;bis(2,8-dibromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene);2-[4-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,5-dimethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[2,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[2-methyl-4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane is Brc1ccc2c(c1)oc1cc(Br)ccc12.Brc1ccc2c(c1)sc1cc(Br)ccc12.CC1(C)OB(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)OC1(C)C.CC1(C)c2cc(Br)ccc2-c2cc3c(cc21)-c1ccc(Br)cc1C3(C)C.CC1(C)c2cc(Br)ccc2-c2cc3c(cc21)-c1ccc(Br)cc1C3(C)C.Cc1cc(-c2ccc(B3OC(C)(C)C(C)(C)O3)c(C)c2)ccc1B1OC(C)(C)C(C)(C)O1.Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C)cc1B1OC(C)(C)C(C)(C)O1.Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C)c1-c1c(C)cc(B2OC(C)(C)C(C)(C)O2)cc1C.

What is the InChIKey of 3,7-dibromodibenzofuran;3,7-dibromodibenzothiophene;bis(2,8-dibromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene);2-[4-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,5-dimethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[2,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[2-methyl-4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane?

The InChIKey is MUAHGSILIXIPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40B2O4.C26H36B2O4.2C24H20Br2.C20H32B2O4.C18H28B2O4.C12H6Br2O.C12H6Br2S/c1-17-13-21(29-31-25(5,6)26(7,8)32-29)14-18(2)23(17)24-19(3)15-22(16-20(24)4)30-33-27(9,10)28(11,12)34-30;1-17-15-19(11-13-21(17)27-29-23(3,4)24(5,6)30-27)20-12-14-22(18(2)16-20)28-31-25(7,8)26(9,10)32-28;2*1-23(2)19-9-13(25)5-7-15(19)17-12-22-18(11-21(17)23)16-8-6-14(26)10-20(16)24(22,3)4;1-13-11-16(22-25-19(7,8)20(9,10)26-22)14(2)12-15(13)21-23-17(3,4)18(5,6)24-21;1-15(2)16(3,4)22-19(21-15)13-9-11-14(12-10-13)20-23-17(5,6)18(7,8)24-20;2*13-7-1-3-9-10-4-2-8(14)6-12(10)15-11(9)5-7/h13-16H,1-12H3;11-16H,1-10H3;2*5-12H,1-4H3;11-12H,1-10H3;9-12H,1-8H3;2*1-6H.

What are the key properties of 3,7-dibromodibenzofuran;3,7-dibromodibenzothiophene;bis(2,8-dibromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene);2-[4-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,5-dimethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[2,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[2-methyl-4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane?

3,7-dibromodibenzofuran;3,7-dibromodibenzothiophene;bis(2,8-dibromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene);2-[4-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,5-dimethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[2,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[2-methyl-4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane has a molecular weight of 3189.09 g/mol, XLogP of 41.28, 10 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3,7-dibromodibenzofuran;3,7-dibromodibenzothiophene;bis(2,8-dibromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene);2-[4-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,5-dimethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[2,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[2-methyl-4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 159671247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).