1-bromo-4-chlorobenzene;3-bromodibenzofuran;2-bromo-9H-fluorene;9-(4-chlorophenyl)-2-phenylcarbazole;phenylboronic acid;2-phenyl-9H-fluorene;2-phenyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane)

C134H133B6Br3Cl2N2O13 — CID 158470073

About 1-bromo-4-chlorobenzene;3-bromodibenzofuran;2-bromo-9H-fluorene;9-(4-chlorophenyl)-2-phenylcarbazole;phenylboronic acid;2-phenyl-9H-fluorene;2-phenyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane)

1-bromo-4-chlorobenzene;3-bromodibenzofuran;2-bromo-9H-fluorene;9-(4-chlorophenyl)-2-phenylcarbazole;phenylboronic acid;2-phenyl-9H-fluorene;2-phenyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane) (PubChem CID 158470073) has the molecular formula C134H133B6Br3Cl2N2O13 and a molecular weight of 2355.03 g/mol. Its IUPAC name is 1-bromo-4-chlorobenzene;3-bromodibenzofuran;2-bromo-9H-fluorene;9-(4-chlorophenyl)-2-phenylcarbazole;phenylboronic acid;2-phenyl-9H-fluorene;2-phenyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;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: 1-bromo-4-chlorobenzene;3-bromodibenzofuran;2-bromo-9H-fluorene;9-(4-chlorophenyl)-2-phenylcarbazole;phenylboronic acid;2-phenyl-9H-fluorene;2-phenyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane)
• PubChem CID: 158470073
• Molecular Formula: C134H133B6Br3Cl2N2O13
• Molecular Weight: 2355.03 g/mol
• Exact Mass: 2350.73
• IUPAC Name: 1-bromo-4-chlorobenzene;3-bromodibenzofuran;2-bromo-9H-fluorene;9-(4-chlorophenyl)-2-phenylcarbazole;phenylboronic acid;2-phenyl-9H-fluorene;2-phenyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;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)Cc1ccccc1-2.Brc1ccc2c(c1)oc1ccccc12.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(c2ccc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)cc2)OC1(C)C.Clc1ccc(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)cc1.Clc1ccc(Br)cc1.OB(O)c1ccccc1.c1ccc(-c2ccc3c(c2)Cc2ccccc2-3)cc1
• InChI: InChI=1S/C30H28BNO2.C24H16ClN.C19H14.C13H9Br.2C12H24B2O4.C12H7BrO.C6H7BO2.C6H4BrCl/c1-29(2)30(3,4)34-31(33-29)23-15-17-24(18-16-23)32-27-13-9-8-12-25(27)26-19-14-22(20-28(26)32)21-10-6-5-7-11-21;25-19-11-13-20(14-12-19)26-23-9-5-4-8-21(23)22-15-10-18(16-24(22)26)17-6-2-1-3-7-17;1-2-6-14(7-3-1)15-10-11-19-17(12-15)13-16-8-4-5-9-18(16)19;14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13;2*1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8;8-7(9)6-4-2-1-3-5-6;7-5-1-3-6(8)4-2-5/h5-20H,1-4H3;1-16H;1-12H,13H2;1-6,8H,7H2;2*1-8H3;1-7H;1-5,8-9H;1-4H
• InChIKey: HGFZPVXERILYME-UHFFFAOYSA-N
• XLogP: 34.11
• TPSA: 155.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2355.03
LogP ≤ 5	34.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-chlorobenzene;3-bromodibenzofuran;2-bromo-9H-fluorene;9-(4-chlorophenyl)-2-phenylcarbazole;phenylboronic acid;2-phenyl-9H-fluorene;2-phenyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;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 1-bromo-4-chlorobenzene;3-bromodibenzofuran;2-bromo-9H-fluorene;9-(4-chlorophenyl)-2-phenylcarbazole;phenylboronic acid;2-phenyl-9H-fluorene;2-phenyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane) (CID 158470073) is 1-bromo-4-chlorobenzene;3-bromodibenzofuran;2-bromo-9H-fluorene;9-(4-chlorophenyl)-2-phenylcarbazole;phenylboronic acid;2-phenyl-9H-fluorene;2-phenyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;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 1-bromo-4-chlorobenzene;3-bromodibenzofuran;2-bromo-9H-fluorene;9-(4-chlorophenyl)-2-phenylcarbazole;phenylboronic acid;2-phenyl-9H-fluorene;2-phenyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;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 1-bromo-4-chlorobenzene;3-bromodibenzofuran;2-bromo-9H-fluorene;9-(4-chlorophenyl)-2-phenylcarbazole;phenylboronic acid;2-phenyl-9H-fluorene;2-phenyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;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)Cc1ccccc1-2.Brc1ccc2c(c1)oc1ccccc12.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(c2ccc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)cc2)OC1(C)C.Clc1ccc(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)cc1.Clc1ccc(Br)cc1.OB(O)c1ccccc1.c1ccc(-c2ccc3c(c2)Cc2ccccc2-3)cc1.

What is the InChIKey of 1-bromo-4-chlorobenzene;3-bromodibenzofuran;2-bromo-9H-fluorene;9-(4-chlorophenyl)-2-phenylcarbazole;phenylboronic acid;2-phenyl-9H-fluorene;2-phenyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;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 HGFZPVXERILYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28BNO2.C24H16ClN.C19H14.C13H9Br.2C12H24B2O4.C12H7BrO.C6H7BO2.C6H4BrCl/c1-29(2)30(3,4)34-31(33-29)23-15-17-24(18-16-23)32-27-13-9-8-12-25(27)26-19-14-22(20-28(26)32)21-10-6-5-7-11-21;25-19-11-13-20(14-12-19)26-23-9-5-4-8-21(23)22-15-10-18(16-24(22)26)17-6-2-1-3-7-17;1-2-6-14(7-3-1)15-10-11-19-17(12-15)13-16-8-4-5-9-18(16)19;14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13;2*1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8;8-7(9)6-4-2-1-3-5-6;7-5-1-3-6(8)4-2-5/h5-20H,1-4H3;1-16H;1-12H,13H2;1-6,8H,7H2;2*1-8H3;1-7H;1-5,8-9H;1-4H.

What are the key properties of 1-bromo-4-chlorobenzene;3-bromodibenzofuran;2-bromo-9H-fluorene;9-(4-chlorophenyl)-2-phenylcarbazole;phenylboronic acid;2-phenyl-9H-fluorene;2-phenyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane)?

1-bromo-4-chlorobenzene;3-bromodibenzofuran;2-bromo-9H-fluorene;9-(4-chlorophenyl)-2-phenylcarbazole;phenylboronic acid;2-phenyl-9H-fluorene;2-phenyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;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 2355.03 g/mol, XLogP of 34.11, 9 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-4-chlorobenzene;3-bromodibenzofuran;2-bromo-9H-fluorene;9-(4-chlorophenyl)-2-phenylcarbazole;phenylboronic acid;2-phenyl-9H-fluorene;2-phenyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;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 158470073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).