2-bromo-9H-carbazole;3-bromodibenzofuran;2-bromo-9-dibenzofuran-3-ylcarbazole;2-(3-bromophenyl)-9-dibenzofuran-3-ylcarbazole;9-dibenzofuran-3-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;1,3-dibromobenzene;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane)

C138H125B5Br6N4O14 — CID 159241111

About 2-bromo-9H-carbazole;3-bromodibenzofuran;2-bromo-9-dibenzofuran-3-ylcarbazole;2-(3-bromophenyl)-9-dibenzofuran-3-ylcarbazole;9-dibenzofuran-3-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;1,3-dibromobenzene;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane)

2-bromo-9H-carbazole;3-bromodibenzofuran;2-bromo-9-dibenzofuran-3-ylcarbazole;2-(3-bromophenyl)-9-dibenzofuran-3-ylcarbazole;9-dibenzofuran-3-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;1,3-dibromobenzene;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane) (PubChem CID 159241111) has the molecular formula C138H125B5Br6N4O14 and a molecular weight of 2597.02 g/mol. Its IUPAC name is 2-bromo-9H-carbazole;3-bromodibenzofuran;2-bromo-9-dibenzofuran-3-ylcarbazole;2-(3-bromophenyl)-9-dibenzofuran-3-ylcarbazole;9-dibenzofuran-3-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;1,3-dibromobenzene;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane).

Molecular Properties

• Compound Name: 2-bromo-9H-carbazole;3-bromodibenzofuran;2-bromo-9-dibenzofuran-3-ylcarbazole;2-(3-bromophenyl)-9-dibenzofuran-3-ylcarbazole;9-dibenzofuran-3-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;1,3-dibromobenzene;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane)
• PubChem CID: 159241111
• Molecular Formula: C138H125B5Br6N4O14
• Molecular Weight: 2597.02 g/mol
• Exact Mass: 2590.48
• IUPAC Name: 2-bromo-9H-carbazole;3-bromodibenzofuran;2-bromo-9-dibenzofuran-3-ylcarbazole;2-(3-bromophenyl)-9-dibenzofuran-3-ylcarbazole;9-dibenzofuran-3-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;1,3-dibromobenzene;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane)
• SMILES: Brc1ccc2c(c1)[nH]c1ccccc12.Brc1ccc2c(c1)oc1ccccc12.Brc1ccc2c3ccccc3n(-c3ccc4c(c3)oc3ccccc34)c2c1.Brc1cccc(-c2ccc3c4ccccc4n(-c4ccc5c(c4)oc4ccccc45)c3c2)c1.Brc1cccc(Br)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c4ccccc4n(-c4ccc5c(c4)oc4ccccc45)c3c2)OC1(C)C
• InChI: InChI=1S/C30H26BNO3.C30H18BrNO.C24H14BrNO.2C12H24B2O4.C12H8BrN.C12H7BrO.C6H4Br2/c1-29(2)30(3,4)35-31(34-29)19-13-15-22-21-9-5-7-11-25(21)32(26(22)17-19)20-14-16-24-23-10-6-8-12-27(23)33-28(24)18-20;31-21-7-5-6-19(16-21)20-12-14-24-23-8-1-3-10-27(23)32(28(24)17-20)22-13-15-26-25-9-2-4-11-29(25)33-30(26)18-22;25-15-9-11-18-17-5-1-3-7-21(17)26(22(18)13-15)16-10-12-20-19-6-2-4-8-23(19)27-24(20)14-16;2*1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;2*13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8;7-5-2-1-3-6(8)4-5/h5-18H,1-4H3;1-18H;1-14H;2*1-8H3;1-7,14H;1-7H;1-4H
• InChIKey: KUCMVKJJCKSOMB-UHFFFAOYSA-N
• XLogP: 39.68
• TPSA: 175.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 7
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2597.02
LogP ≤ 5	39.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9H-carbazole;3-bromodibenzofuran;2-bromo-9-dibenzofuran-3-ylcarbazole;2-(3-bromophenyl)-9-dibenzofuran-3-ylcarbazole;9-dibenzofuran-3-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;1,3-dibromobenzene;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane)?

The IUPAC name of 2-bromo-9H-carbazole;3-bromodibenzofuran;2-bromo-9-dibenzofuran-3-ylcarbazole;2-(3-bromophenyl)-9-dibenzofuran-3-ylcarbazole;9-dibenzofuran-3-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;1,3-dibromobenzene;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane) (CID 159241111) is 2-bromo-9H-carbazole;3-bromodibenzofuran;2-bromo-9-dibenzofuran-3-ylcarbazole;2-(3-bromophenyl)-9-dibenzofuran-3-ylcarbazole;9-dibenzofuran-3-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;1,3-dibromobenzene;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane).

What is the SMILES notation for 2-bromo-9H-carbazole;3-bromodibenzofuran;2-bromo-9-dibenzofuran-3-ylcarbazole;2-(3-bromophenyl)-9-dibenzofuran-3-ylcarbazole;9-dibenzofuran-3-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;1,3-dibromobenzene;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane)?

The canonical SMILES for 2-bromo-9H-carbazole;3-bromodibenzofuran;2-bromo-9-dibenzofuran-3-ylcarbazole;2-(3-bromophenyl)-9-dibenzofuran-3-ylcarbazole;9-dibenzofuran-3-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;1,3-dibromobenzene;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane) is Brc1ccc2c(c1)[nH]c1ccccc12.Brc1ccc2c(c1)oc1ccccc12.Brc1ccc2c3ccccc3n(-c3ccc4c(c3)oc3ccccc34)c2c1.Brc1cccc(-c2ccc3c4ccccc4n(-c4ccc5c(c4)oc4ccccc45)c3c2)c1.Brc1cccc(Br)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c4ccccc4n(-c4ccc5c(c4)oc4ccccc45)c3c2)OC1(C)C.

What is the InChIKey of 2-bromo-9H-carbazole;3-bromodibenzofuran;2-bromo-9-dibenzofuran-3-ylcarbazole;2-(3-bromophenyl)-9-dibenzofuran-3-ylcarbazole;9-dibenzofuran-3-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;1,3-dibromobenzene;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane)?

The InChIKey is KUCMVKJJCKSOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26BNO3.C30H18BrNO.C24H14BrNO.2C12H24B2O4.C12H8BrN.C12H7BrO.C6H4Br2/c1-29(2)30(3,4)35-31(34-29)19-13-15-22-21-9-5-7-11-25(21)32(26(22)17-19)20-14-16-24-23-10-6-8-12-27(23)33-28(24)18-20;31-21-7-5-6-19(16-21)20-12-14-24-23-8-1-3-10-27(23)32(28(24)17-20)22-13-15-26-25-9-2-4-11-29(25)33-30(26)18-22;25-15-9-11-18-17-5-1-3-7-21(17)26(22(18)13-15)16-10-12-20-19-6-2-4-8-23(19)27-24(20)14-16;2*1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;2*13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8;7-5-2-1-3-6(8)4-5/h5-18H,1-4H3;1-18H;1-14H;2*1-8H3;1-7,14H;1-7H;1-4H.

What are the key properties of 2-bromo-9H-carbazole;3-bromodibenzofuran;2-bromo-9-dibenzofuran-3-ylcarbazole;2-(3-bromophenyl)-9-dibenzofuran-3-ylcarbazole;9-dibenzofuran-3-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;1,3-dibromobenzene;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane)?

2-bromo-9H-carbazole;3-bromodibenzofuran;2-bromo-9-dibenzofuran-3-ylcarbazole;2-(3-bromophenyl)-9-dibenzofuran-3-ylcarbazole;9-dibenzofuran-3-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;1,3-dibromobenzene;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane) has a molecular weight of 2597.02 g/mol, XLogP of 39.68, 7 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-9H-carbazole;3-bromodibenzofuran;2-bromo-9-dibenzofuran-3-ylcarbazole;2-(3-bromophenyl)-9-dibenzofuran-3-ylcarbazole;9-dibenzofuran-3-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;1,3-dibromobenzene;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane) is sourced from PubChem (CID 159241111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).