2-bromo-9H-fluorene;1-bromo-4-iodobenzene;5-(4-bromophenyl)-11-phenylbenzo[a]carbazole;11-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[a]carbazole;11-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[a]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C121H111B4Br3IN3O8 — CID 158601461

About 2-bromo-9H-fluorene;1-bromo-4-iodobenzene;5-(4-bromophenyl)-11-phenylbenzo[a]carbazole;11-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[a]carbazole;11-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[a]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

2-bromo-9H-fluorene;1-bromo-4-iodobenzene;5-(4-bromophenyl)-11-phenylbenzo[a]carbazole;11-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[a]carbazole;11-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[a]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158601461) has the molecular formula C121H111B4Br3IN3O8 and a molecular weight of 2145.10 g/mol. Its IUPAC name is 2-bromo-9H-fluorene;1-bromo-4-iodobenzene;5-(4-bromophenyl)-11-phenylbenzo[a]carbazole;11-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[a]carbazole;11-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[a]carbazole;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-fluorene;1-bromo-4-iodobenzene;5-(4-bromophenyl)-11-phenylbenzo[a]carbazole;11-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[a]carbazole;11-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[a]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 158601461
• Molecular Formula: C121H111B4Br3IN3O8
• Molecular Weight: 2145.10 g/mol
• Exact Mass: 2141.53
• IUPAC Name: 2-bromo-9H-fluorene;1-bromo-4-iodobenzene;5-(4-bromophenyl)-11-phenylbenzo[a]carbazole;11-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[a]carbazole;11-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[a]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1ccc(-c2cc3c4ccccc4n(-c4ccccc4)c3c3ccccc23)cc1.Brc1ccc(I)cc1.Brc1ccc2c(c1)Cc1ccccc1-2.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cc3c4ccccc4n(-c4ccccc4)c3c3ccccc23)OC1(C)C.CC1(C)OB(c2ccc(-c3cc4c5ccccc5n(-c5ccccc5)c4c4ccccc34)cc2)OC1(C)C
• InChI: InChI=1S/C34H30BNO2.C28H26BNO2.C28H18BrN.C13H9Br.C12H24B2O4.C6H4BrI/c1-33(2)34(3,4)38-35(37-33)24-20-18-23(19-21-24)29-22-30-27-15-10-11-17-31(27)36(25-12-6-5-7-13-25)32(30)28-16-9-8-14-26(28)29;1-27(2)28(3,4)32-29(31-27)24-18-23-21-15-10-11-17-25(21)30(19-12-6-5-7-13-19)26(23)22-16-9-8-14-20(22)24;29-20-16-14-19(15-17-20)25-18-26-23-11-6-7-13-27(23)30(21-8-2-1-3-9-21)28(26)24-12-5-4-10-22(24)25;14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;7-5-1-3-6(8)4-2-5/h5-22H,1-4H3;5-18H,1-4H3;1-18H;1-6,8H,7H2;1-8H3;1-4H
• InChIKey: HVRMJDMQWLBWIJ-UHFFFAOYSA-N
• XLogP: 31.83
• TPSA: 88.63 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2145.10
LogP ≤ 5	31.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9H-fluorene;1-bromo-4-iodobenzene;5-(4-bromophenyl)-11-phenylbenzo[a]carbazole;11-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[a]carbazole;11-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[a]carbazole;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-fluorene;1-bromo-4-iodobenzene;5-(4-bromophenyl)-11-phenylbenzo[a]carbazole;11-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[a]carbazole;11-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[a]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158601461) is 2-bromo-9H-fluorene;1-bromo-4-iodobenzene;5-(4-bromophenyl)-11-phenylbenzo[a]carbazole;11-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[a]carbazole;11-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[a]carbazole;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-fluorene;1-bromo-4-iodobenzene;5-(4-bromophenyl)-11-phenylbenzo[a]carbazole;11-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[a]carbazole;11-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[a]carbazole;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-fluorene;1-bromo-4-iodobenzene;5-(4-bromophenyl)-11-phenylbenzo[a]carbazole;11-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[a]carbazole;11-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[a]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1ccc(-c2cc3c4ccccc4n(-c4ccccc4)c3c3ccccc23)cc1.Brc1ccc(I)cc1.Brc1ccc2c(c1)Cc1ccccc1-2.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cc3c4ccccc4n(-c4ccccc4)c3c3ccccc23)OC1(C)C.CC1(C)OB(c2ccc(-c3cc4c5ccccc5n(-c5ccccc5)c4c4ccccc34)cc2)OC1(C)C.

What is the InChIKey of 2-bromo-9H-fluorene;1-bromo-4-iodobenzene;5-(4-bromophenyl)-11-phenylbenzo[a]carbazole;11-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[a]carbazole;11-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[a]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is HVRMJDMQWLBWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30BNO2.C28H26BNO2.C28H18BrN.C13H9Br.C12H24B2O4.C6H4BrI/c1-33(2)34(3,4)38-35(37-33)24-20-18-23(19-21-24)29-22-30-27-15-10-11-17-31(27)36(25-12-6-5-7-13-25)32(30)28-16-9-8-14-26(28)29;1-27(2)28(3,4)32-29(31-27)24-18-23-21-15-10-11-17-25(21)30(19-12-6-5-7-13-19)26(23)22-16-9-8-14-20(22)24;29-20-16-14-19(15-17-20)25-18-26-23-11-6-7-13-27(23)30(21-8-2-1-3-9-21)28(26)24-12-5-4-10-22(24)25;14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;7-5-1-3-6(8)4-2-5/h5-22H,1-4H3;5-18H,1-4H3;1-18H;1-6,8H,7H2;1-8H3;1-4H.

What are the key properties of 2-bromo-9H-fluorene;1-bromo-4-iodobenzene;5-(4-bromophenyl)-11-phenylbenzo[a]carbazole;11-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[a]carbazole;11-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[a]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

2-bromo-9H-fluorene;1-bromo-4-iodobenzene;5-(4-bromophenyl)-11-phenylbenzo[a]carbazole;11-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[a]carbazole;11-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[a]carbazole;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 2145.10 g/mol, XLogP of 31.83, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-9H-fluorene;1-bromo-4-iodobenzene;5-(4-bromophenyl)-11-phenylbenzo[a]carbazole;11-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[a]carbazole;11-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[a]carbazole;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 158601461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).